Vitamin B1 hydrochloride Thiamine hydrochloride

Structural formula

• Numbering system
• Physical property data
• Toxicological data
• Ecological data
• Molecular structure data
• Computing chemical data
• More
  • Properties and Stability
  • Storage method
  • Synthesis method
  • Purpose

Numbering system

CAS number:67-03-8

MDL number:MFCD00012780

EINECS number:200-641-8

RTECS number:XI7350000

BRN number:3851771

PubChem number:24900057

Physical property data

1.                                                                                                                                        

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

4. Melting point (ºC): 250 (dec.)(lit.)

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

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

7. Refractive index: Uncertain

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8. Flash point (ºC): Uncertain

9. Specific rotation (º): Uncertain

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

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

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

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

14. Critical temperature (ºC): Uncertain

15. Critical pressure (KPa): Uncertain

16. The logarithmic value of the oil-water (octanol/water) partition coefficient: Uncertain

17. The upper limit of explosion (%, V/V): Uncertain

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

19. Solubility: Very soluble in water, 1 gram can be dissolved in 1 ml of water, 18 ml of propylene glycol, 100 ml of 95% ethanol, 315 ml of ethanol. Almost insoluble in ether, benzene, hexane and chloroform

Toxicological data

MouseLD50 (mg/kg ): 89.2 Intravenous injection; 8224 Oral.

Ecological data

None yet

Molecular structure data

None yet

Compute chemical data

1. Number of hydrogen bond donors: 3

2. Number of hydrogen bond acceptors: 5

3. Number of rotatable chemical bonds: 4

4. Number of tautomers: 3

5. Topological molecular polar surface area (TPSA): 75.9

6. Number of heavy atoms: 20

7.  Surface charge: 0

8, Complexity: 269

9, Number of isotope atoms: 0

10, Determine the number of atomic stereocenters: 0

11. The number of uncertain atomic stereocenters: 0

12. The number of determined chemical bond stereocenters: 0

13. The uncertain chemical bond stereocenters Quantity: 0

14, Number of covalent bond units: 3

Properties and stability

1%Aqueous solutionpH is 3.13. It is relatively stable in pH2-4 aqueous solution. pH5.5 and above are unstable to heating and will be damaged by ultraviolet rays. break down. It is stable in the air in a dry state, absorbs moisture quickly and decomposes slowly when exposed to the air.

Storage method

This product should be sealed and stored in a cool, dark place.

Synthesis method

1. Natural products exist in rice bran, germ, yeast, beans, etc., and can be extracted from rice bran or yeast after hydrolysis. There are many methods of synthesis. It can be prepared from 4-amino-2-methyl-5-acetylaminomethylpyrimidine through hydrolysis, addition condensation, cyclization hydrolysis, oxidation, substitution and other steps.

2.It can be formed from 4-amino-2-methyl-5-acetylaminomethylpyrimidine through hydrolysis, addition condensation, cyclization hydrolysis, It is prepared through oxidation, replacement and other steps. Natural products exist in rice bran, germ, yeast, beans, etc., and can be extracted from rice bran or yeast after hydrolysis.

3.Vitamin B1 naturally exists in rice bran, bran, peanuts, lean meat and other foods. Thiamine hydrochloride is usually obtained by condensation, hydrolysis, condensation, neutralization, oxidation and acidification of excess acetamidine hydrochloride and α-dimethoxy-β-methoxypropionitrile.

Purpose

1. This product plays an important role in glucose metabolism. The energy of nervous tissue is mainly supplied by glycogen metabolism. Once there is a lack of vitamin B1, the energy supply will be blocked, lactic acid and pyruvate will accumulate, resulting in polyneuritis, abnormal sensation, limb weakness, neuromuscular soreness and atrophy, and myocardial metabolism disorder. , symptoms of cardiobacterial insufficiency such as palpitations, chest tightness, cardiac hypertrophy, liver stasis, and peripheral edema appear. Mild vitamin B1 deficiency causes loss of appetite, weight loss, and weakness. It is used for vitamin B1 deficiency, high fever, hyperthyroidism, large amounts of glucose infusion, systemic infection, diabetes and polyneuritis, etc. According to the “Hygienic Standards for the Use of Food Nutritional Enhancers (1993)” promulgated by the Ministry of Health of my country, vitamin B1 can be used in cereals, their products, and beverages at a dosage of 3-5 mg/kg. It can also be used in infant and young child foods. The dosage is 4-8 mg/kg. Mouse oral toxicity LD507700-15000 mg/kg.

2. Used in medicine and biochemical research, fluorescence and phosphorescence analysis of phosphorus, and fluorescence determination of mercury.

3.Vitamin B1 plays an important role in maintaining normal nerve conduction, normal activities of the heart and digestive system. When it is deficient, people are susceptible to diseases such as beriberi or polyneuritis. Our country stipulates that it can be used in infant food, and the usage amount is 4 to 8 mg/kg; in cereals and their preparations, ;”>The dosage used in products is 3.0～5.0mg/kg; the dosage used in drinking liquids and milk drinks is 1～2mg/kg.