L-Glutamine

L-glutamine structural formula

Structural formula

Business number 017Z
Molecular formula C5H10N2O3
Molecular weight 146.15
label

L-Glutamic acid-5-amide,

L-aminocarbonylbutyrine,

L-2-Aminoglutaric acid amide,

(S)-(+)-Glutamine,

L-Glutamic acid 5-amide,

amino acid drugs,

intermediates,

Biochemical reagents

Numbering system

CAS number:56-85-9

MDL number:MFCD00008044

EINECS number:200-292-1

RTECS number:MA2275100

BRN number:1723797

PubChem number:24277983

Physical property data

1. Properties: colorless needle-like crystals

2. Density (g/mL, 25/4?): 1.321

3. Relative vapor density (g/mL , air=1): Undetermined

4. Melting point (ºC, decomposition): 185?186

5. Boiling point (ºC, normal pressure): 185

6. Boiling point (ºC, 5.2kPa): Undetermined

7. Refractive index: Undetermined

8. Flash point (ºC): Undetermined

9. Specific rotation (º): 32.25° (c=10, 2 N HCl).

10. Autoignition point or ignition temperature (ºC): Undetermined

11. Vapor pressure (kPa, 25ºC): Undetermined

12. Saturation Vapor pressure (kPa, 60ºC): Undetermined

13. Heat of combustion (KJ/mol): Undetermined

14. Critical temperature (ºC): Undetermined

15. Critical pressure (KPa): Undetermined

16. Log value of oil-water (octanol/water) partition coefficient: Undetermined

17. Explosion upper limit (% , V/V): Undetermined

18. Lower explosion limit (%, V/V): Undetermined

19. Solubility: soluble in water, almost insoluble in methanol, Ethanol, ether, benzene, acetone, ethyl acetate and chloroform, etc.

Toxicological data

1. Acute toxicity: Men’s oral TDLo: 27mg/kg/1W-I; Rat’s oral LD50: 7500mg/kg; Mice’s oral LD50: 21700mg/kg 2. Other multi-dose toxicity: Rat’s oral TDLo: 260mg/kg/30D-I 3. Mutagenicity: sister chromatids exchangeTEST system: human lymphocytes: 10mg/L

Ecological data

None

Molecular structure data

1. Molar refractive index:33.83

2. Molar volume (cm3/mol): 110.5

3. Isotonic specific volume (90.2K): 313.3

4. Surface tension (dyne/cm): 64.5

5. Polarizability (10-24cm3): 13.41

Compute chemical data

1. Reference value for hydrophobic parameter calculation (XlogP): -3.1

2. Number of hydrogen bond donors: 3

3. Number of hydrogen bond acceptors: 4

4. Number of rotatable chemical bonds: 4

5. Number of tautomers: 2

6. Topological molecular polar surface area (TPSA): 106

7. Number of heavy atoms: 10

8. Surface charge: 0

9. Complexity: 146

10. Isotopes Number of atoms: 0

11. Determine the number of atomic stereocenters: 1

12. Uncertain number of atomic stereocenters: 0

13. Determine chemical bonds Number of stereocenters: 0

14. Number of stereocenters of uncertain chemical bonds: 0

15. Number of covalent bond units: 1

Properties and stability

1. Participate in the biosynthesis of glucosamine, a component of mucin in the digestive tract mucosa, thereby promoting the repair of mucosal epithelial tissue and helping to eliminate ulcer lesions. At the same time, it can promote brain metabolism and improve brain function through the blood-brain barrier. Like glutamate, it is an important nutrient for brain metabolism.

2. Exist in tobacco leaves and smoke.

3. Valuable in the field of immunity. After the body converts toxic ammonia into non-toxic glutamine, it is excreted through urine. Generally not involved in the composition of proteins.

Storage method

This product should be stored in a sealed, cool place and away from light.

Synthesis method

L-Glutamine widely exists in nature. For example, it is contained in free state in pumpkin and sunflower seedlings, and its N-ethyl compound (theanine) is contained in tea leaves. Although glutamine can be extracted from natural products, fermentation and synthesis are used for mass production. 1. Synthesis method: It is obtained by condensation, addition, salt formation and hydrolysis of L-glutamic acid-5-methyl ester ([1499-55-4]). Glutamic acid is esterified with methanol in the presence of concentrated sulfuric acid, and the resulting esterified liquid is added dropwise to the mixture of methanol and carbon disulfide. While adding dropwise, ammonia is circulated under cooling. After the esterification liquid is added dropwise, continue to pass ammonia, then add triethylamine, and leave it sealed at 30°C for 40 hours. After concentrating under reduced pressure to drive out ammonia, a concentrated solution of ?-methyl ester-L-glutamic acid-N-amino acid diammonium salt was obtained. Heat it to 40-45°C and add acetic acid. After stirring for 30 minutes, carbon disulfide was removed under reduced pressure, and a large amount of crystals precipitated. Then add an equal volume of methanol, place it at 0°C for 12 hours, and filter to obtain crude glutamine. The finished product is obtained through activated carbon decolorization and recrystallization. 2. Fermentation method uses glucose, acetic acid, and ethanol as the carbon source of the culture medium, and uses Brevibacterium flavum for fermentation. The yield based on glucose is 39g/L, and the yield is 39%.

2.Synthesis

3.Fermentation method

4. Extracted from the cell wall of fungi.

Purpose

1. This product is converted into sugar amine in the body, which serves as a precursor for mucin synthesis and can promote ulcer healing. It is mainly used as a peptic tract ulcer drug. In addition, it can also be used as a brain function improver and in the treatment of alcoholism.

2.It is used to improve the brain function of children with mental retardation and patients with mental disorders, alcoholism and epilepsy.

3. Nutritional supplements. In medicine, it is used to treat digestive organ ulcers (gastric ulcers, duodenal ulcers) and acute and chronic gastritis. It is also used as a brain function improver and to treat alcoholism.

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Formaldehyde oxime

Formaldehyde oxime structural formula

Structural formula

Business number 01J4
Molecular formula CH3NO
Molecular weight 45.04
label

Formyl oxime aqueous solution,

Formaldehydeoxime,

Formaldoximesolution,

Methyleneamine N-oxide,

N-Hydroxymethyleneimine

Numbering system

CAS number:75-17-2

MDL number:MFCD00058969

EINECS number:200-845-7

RTECS number:LP9720000

BRN number:None

PubChem ID:None

Physical property data

1. Characteristics: pure product with extremely strong refractive index Colorless liquid.


2. Density (g/mL,25/4?)?1? 035


3. Relative vapor density (g/mL,AIR=1): Unsure


4. Melting point (ºC): Unsure


5. Boiling point (ºC,Normal pressure): Uncertain


6. Boiling point (ºC,5.2kPa): Unsure


7. fold?Rate: Uncertain


8. Flash Point (ºC): 25


9. Specific optical rotation (º): Unsure


10. Autoignition point or ignition temperature (ºC): Unsure


11. Vapor pressure (kPa,25ºC): Unsure


12. Saturated vapor pressure (kPa,60ºC): Unsure


13. Heat of combustion (KJ/mol): Unsure


14. Critical temperature (ºC): Unsure


15. Critical pressure (KPa): Unsure


16. Oil and water (octanol/Log value of the partition coefficient (water): Uncertain


17. Explosion limit (%,V/V): Not sure


18. Lower explosion limit (%,V/V): Unsure


19. Solubility: soluble in water and acid. Can become a water-insoluble polymer at room temperature.




Toxicological data

1, teratogenicity


E. coli: 10umol/plate

Ecological data

None

Molecular structure data

1. Molar refractive index:10.86


2. Molar volume (m3/mol??48.4


3. isotonic specific volume (90.2K):110.8


4. Surface Tension (dyne/cm):27.4


5. Polarizability?10-24cm3): 4.30

Compute chemical data

1. Reference value for hydrophobic parameter calculation (XlogP): 1.5

2. Number of hydrogen bond donors: 1

3. Number of hydrogen bond acceptors: 2

4. Number of rotatable chemical bonds: 0

5. Number of tautomers: 2

6. Topological molecule polar surface area 32.6

7. Number of heavy atoms: 3

8. Surface charge: 0

9. Complexity: 12.3

10. Number of isotope atoms: 0

11. Determine the number of atomic stereocenters: 0

12. Uncertain number of atomic stereocenters: 0

13. Determine the number of chemical bond stereocenters: 0

14. Number of uncertain chemical bond stereocenters: 0

15. Number of covalent bond units: 1

Properties and stability

None

Storage method

This product should be kept sealed. Not suitable for long-term storage.

Synthesis method

None

Purpose

Used for determination of manganese, copper, nickel, cobalt and iron, etc.

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L-aspartic acid

L-aspartic acid structural formula

Structural formula

Business number 017Y
Molecular formula C4H7NO4
Molecular weight 133.1
label

L(+)-aminosuccinic acid,

L(+)-aminosuccinic acid,

L-aspartic acid,

L-aspartic acid,

(S)-(+)-Aminosuccinic acid,

(S)-Aspartic acid,

biochemical reagents,

Intermediates

Numbering system

CAS number:56-84-8

MDL number:MFCD00002616

EINECS number:200-291-6

RTECS number:CI9098500

BRN number:1723530

PubChem ID:None

Physical property data

1. Properties: Colorless orthorhombic leaf-shaped or rod-shaped crystals or crystalline powder, odorless. Often left-handed optical rotation.

2. Density (g/mL, 25/4?): (d12.5/4) 1.514

3. Relative vapor density (g/mL, air=1) : Undetermined

4. Melting point (ºC): 270-271

5. Boiling point (ºC, normal pressure): Undetermined

6. Boiling point ( ºC, 5.2kPa): Not determined

7. Refractive index: Not determined

8. Flash point (ºC): Not determined

9. Specific optical rotation Degree (º): [a]20/D+25° (c=1.97, in 6mol/L hydrochloric acid).

10. Autoignition point or ignition temperature (ºC): Undetermined

11. Vapor pressure (kPa, 25ºC): Undetermined

12. Saturation Vapor pressure (kPa, 60ºC): Undetermined

13. Heat of combustion (KJ/mol): Undetermined

14. Critical temperature (ºC): Undetermined

15. Critical pressure (KPa): Undetermined

16. Log value of oil-water (octanol/water) partition coefficient: Undetermined

17. Explosion upper limit (% , V/V): Undetermined

18. Lower explosion limit (%, V/V): Undetermined

19. Solubility: soluble in hot water, acid, alkali and Salt solution, insoluble in ethanol and ether.

Toxicological data

1. Acute toxicity: mouse abdominal LC50: 6mg/kg

2. Other multiple dose toxicity: rat oral TDLo: 25079mg/kg/7D-C

3. Mutagenicity: sister chromatids exchangeTEST system: human lymphocytes: 10mg/L

Ecological data

None

Molecular structure data

1. Molar refractive index: 27.20

2. Molar volume (cm3/mol): 87.8

3. Isotonic specific volume (90.2K ): 261.3

4. Surface tension (dyne/cm): 78.2

5. Polarizability (10-24cm3): 10.78

Compute chemical data

1. Reference value for hydrophobic parameter calculation (XlogP): None

2. Number of hydrogen bond donors: 3

3. Number of hydrogen bond acceptors: 5

4. Number of rotatable chemical bonds: 3

5. Number of tautomers: none

6. Topological molecule polar surface area 101

7. Number of heavy atoms: 9

8. Surface charge: 0

9. Complexity: 133

10. Number of isotope atoms: 0

11. Determine the number of atomic stereocenters: 1

12. Uncertain number of atomic stereocenters: 0

13. Determine the number of chemical bond stereocenters: 0

14. Number of uncertain chemical bond stereocenters: 0

15. Number of covalent bond units: 1

Properties and stability

1. Stable properties under normal temperature and pressure.

2. It is a natural product and non-toxic.

3. Exist in tobacco leaves and smoke.

Storage method

Seal and store in a dry place.

Synthesis method

1. The preparation methods of L-aspartic acid include synthesis method and fermentation method. 1. The synthesis method mainly uses maleic acid or fumaric acid or their esters as raw materials, which are treated with ammonia under pressure and then hydrolyzed. It is relatively easy to synthesize racemic aspartic acid, but so far there is no ideal method to separate the racemate. 2. In the fermentation method, fumaric acid and ammonia are added under the action of enzymes to obtain products with high yields. This method only generates the left-handed form with high yield, so it is the main method for industrial production.

2. Obtained from fumaric acid and ammonia under the action of aspartase of Pseudomonas clover or Brevibacterium ammoniagenes.

3. Use maleic acid, fumaric acid or their esters as raw materials, and add ammonia under the action of enzymes. The reaction is as follows:

4. Tobacco: BU, 22; FC, 21.

Purpose

1. Biochemical and medical clinical research. It can be used as an ammonia detoxifier, liver function promoter, fatigue recovery agent and other pharmaceuticals. It can be used to make L-sodium aspartate food additives and additives for various refreshing drinks. It can also be used as biochemical reagents, culture media and organic synthesis intermediates.

2. Can be used as biochemical reagents, culture media and organic synthesis intermediates. In medicine, it is used as a component of heart disease drugs, liver function promoters, ammonia detoxifiers, fatigue relievers and amino acid infusions. It is also used as a preservative in the food industry.

3. Nutritional supplements. Add to various refreshing drinks. It is used medicinally as an ammonia detoxifier and liver function promoter. Used as nutritional additive in cosmetics.

4. L-aspartic acid is often used as a chiral substrate in diastereomeric alkylation reactions, and can be used as a chiral source to synthesize other chiral compounds.

Diastereoselective alkylation L-aspartate ester can be used in ?– and ?– Alkylation occurs (formula 1) [2], among which the ?-alkylation reaction is the most widely used. During the ?-alkylation reaction, the amino acid moiety has an important influence on the diastereoselectivity of the reaction. At the same time, ?-dicarbonyl compounds can also be prepared through ?-alkylation of cyclic derivatives of L-aspartic acid [3].

Synthesis of Chiral Compounds Using L-aspartic acid as the chiral source, a series of chiral compounds can be synthesized, such as using copper iodide After the action of sodium borohydride, etc., a multifunctional oxygen nitrogen heterocyclic compound (formula 2) can be obtained, which can further generate a quinoline compound [4].

Formation of amide bond L-aspartic acid, as an amino acid, is the same as other amino acids Amide compounds (formula 3)[5] can also be generated.

At the same time, you can also use L- Aspartic acid is used as the parent to realize the synthesis of cyclic lactam. For example, the synthesis of six-membered ring lactam (formula 4)[6]. The alkoxy group is also present in the product and therefore serves as an additional reaction site for further derivatization.

? Synthesis of amino acids (or amino acid esters) L-aspartic acid can generate ?-amino acids or amino acid esters ( Formula 5)[10], this reaction realizes the conversion from natural amino acids to unnatural amino acids.

In addition, the L-aspartic acid molecule contains two carboxyl groups and one amino group, so it can be used as a multidentate ligand to coordinate with metal ions[7~9] Or form lactone compounds themselves[10,11].

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PRODUCT