Thiamine chloride

Base Information

• Chemical Name: Thiamine chloride
• CAS No.: 59-43-8
• Deprecated CAS: 100660-17-1,115461-66-0,55463-15-5,57777-32-9,115461-66-0,57777-32-9
• Molecular Formula: C12H17ClN4OS
• Molecular Weight: 337.273
• Hs Code.: 3004500000
• European Community (EC) Number: 200-425-3
• UNII: X66NSO3N35
• DSSTox Substance ID: DTXSID2023648
• Wikipedia: Thiamine
• Wikidata: Q27115611
• NCI Thesaurus Code: C874
• RXCUI: 10454
• ChEMBL ID: CHEMBL1588
• Mol file: 59-43-8.mol

Synonyms:VB1;Thiamine(8CI);Thiazolium, 3-[(4-amino-2-methyl-5-pyrimidinyl)methyl]-5-(2-hydroxyethyl)-4-methyl-chloride (9CI);Aneurine;Apatate Drape;Beivon;Bethiamin;Oryzanin;Thiacoat;Thiamin;Thiamine monochloride;Vitamin B1;Vitaneurin;thiamine;3-[(4-Amino-2-methyl-5-pyrimidinyl)methyl]-5-(2-hydroxyethyl)-4-methyl-1,3-thiazol-3-ium chloride;

Chemical Property of Thiamine chloride

Chemical Property:

• Appearance/Colour: white fine powder
• Melting Point: 125 °C
• Refractive Index: 1.5630 (estimate)
• PSA: 104.15000
• Density: 6 g/cm3
• LogP: -1.80710
• Storage Temp.: Keep in dark place,Inert atmosphere,Room temperature
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 4
• Exact Mass: 300.0811600
• Heavy Atom Count: 19
• Complexity: 269

Purity/Quality:

99%, ^*data from raw suppliers

3-((4-Amino-2-methylpyrimidin-5-yl)methyl)-5-(2-hydroxyethyl)-4-methylthiazol-3-ium chloride 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Chemical Classes: Biological Agents -> Vitamins and Derivatives
• Canonical SMILES: CC1=C(SC=[N+]1CC2=CN=C(N=C2N)C)CCO.[Cl-]
• Recent ClinicalTrials: Efficacy of Early Intravenous High-dose Vitamin C in Post-cardiac Arrest Shock.
• Recent EU Clinical Trials: PBC induced fatigue treated with thiamine
• Uses: Vitamin B1 is used in method for cultivating tremella strain. Also, it is protein compound liquid comprising collagen and Rhodiola rosea extract or preparing injection to remove skin wrinkle.
• Therapeutic Function: Enzyme cofactor vitamin, Antineuritic
• Clinical Use: Thiamine chloride, as the base or as the hydrochloride salt, is indicatedin the treatment or prophylaxis of known or suspected thiaminedeficiencies. Severe thiamine deficiency is calledberiberi, which is very rare in developed countries. The mostlikely cause of thiamine deficiency in the United States is theresult of chronic alcoholism, which leads to multiple vitamindeficiencies as a result of poor dietary intake. The major organsaffected are the nervous system (dry beriberi), whichmanifests as neurological damage, the cardiovascular system(wet beriberi), which manifests as heart failure and edema, andthe gastrointestinal tract. Thiamine administration reverses thegastrointestinal, cardiovascular, and neurological symptoms;however, if the deficiency has been severe or of prolonged duration, the neurological damage may be permanent.

Technology Process of Thiamine chloride

There total 13 articles about Thiamine chloride which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 100.0%

Thiamine hydrochloride (67-03-8,70732-86-4) → vitamin B1 (59-43-8)

Guidance literature:

With sodium hydroxide; In ethanol;

DOI:10.1055/s-1986-31879

Reference yield:

2-(α-hydroxybenzyl)thiaminium chloride (27350-85-2,134876-54-3) → benzoic acid methyl ester (93-58-3,5705-52-2,80226-58-0) + vitamin B1 (59-43-8) + benzaldehyde (100-52-7)

Guidance literature:

With potassium hydroxide; oxygen; In methanol; Mechanism; and under aerobic conditions;

Reference yield:

thiamine diphosphate (154-87-0) → vitamin B1 (59-43-8)

Guidance literature:

With recombinant mouse thiamine pyrophosphokinase 1; magnesium sulfate; 5'-adenosine monophosphate; In aq. buffer; at 37 ℃; for 0.333333h; pH=7.5; Concentration; Equilibrium constant; Kinetics; Enzymatic reaction;

DOI:10.1016/j.bbagen.2021.130071

upstream raw materials:

3-(4-amino-2-methyl-pyrimidin-5-ylmethyl)-5-(2-hydroxy-ethyl)-4-methyl-3H-thiazole-2-thione

3-(4-amino-2-methyl-pyrimidin-5-ylmethyl)-5-(2-hydroxy-ethyl)-2-hydroxymethyl-4-methyl-thiazolium; chloride monohydrochloride

[3-(4-amino-2-methyl-pyrimidin-5-ylmethyl)-3a-methyl-hexahydro-furo[2,3-d]thiazol-2-yl]-phenyl-methanone

Thiamine hydrochloride

Downstream raw materials:

1-[9-(2-hydroxy-ethyl)-2,9a-dimethyl-5,9,9a,10-tetrahydro-pyrimido[4,5-d]thiazolo[3,4-a]pyrimidin-7-yl]-3-methoxy-3-phenyl-propan-1-one

[3-(4-amino-2-methyl-pyrimidin-5-ylmethyl)-3a-methyl-hexahydro-furo[2,3-d]thiazol-2-yl]-phosphonic acid dimethyl ester

[3-(4-amino-2-methyl-pyrimidin-5-ylmethyl)-3a-methyl-hexahydro-furo[2,3-d]thiazol-2-yl]-phenyl-phosphinic acid ethyl ester

thiamin hydroiodide

Refernces

• 1、 Alhama-Riba, Judit,Bettendorff, Lucien,Brans, Alain,Pavlova, Oleksandra,Sambon, Margaux,Wins, Pierre. "Product inhibition of mammalian thiamine pyrophosphokinase is an important mechanism for maintaining thiamine diphosphate homeostasis". . . Retrieved 2021/12/30.
• 2、 Vovk, A. I.,Murav'eva, I. V.. "BASE-CATALYZED OXIDATION OF 2-(α-HYDROXYBENZYL)THIAMINE BY MOLECULAR OXYGEN". . p. 119 - 122. Retrieved 2007/10/03.