3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-5-(2-hydroxyethyl)-4-methylthiazolium chloride hydrochlor

Base Information

• Chemical Name: 3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-5-(2-hydroxyethyl)-4-methylthiazolium chloride hydrochlor
• CAS No.: 70732-86-4
• Molecular Formula: C12H18Cl2N4OS
• Molecular Weight: 337.26852
• Mol file: 70732-86-4.mol

Synonyms:3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-5-(2-hydroxyethyl)-4-methylthiazolium chloride hydrochlor;3-((4-Amino-2-methyl-5-pyrimidinyl)methyl)-5-(2-hydroxyethyl)-4-m- ethylthiazolium chloride, monohydrochloride;3-((4-Amino-2-methyl-5-pyrimidinyl)methyl)-5-(2-hydroxyethyl)-4-methylthiazolium chloride monohydrochloride;Ai3-18993

Chemical Property of 3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-5-(2-hydroxyethyl)-4-methylthiazolium chloride hydrochlor

Chemical Property:

• Melting Point: 164oC
• PSA: 104.88000
• LogP: -1.65620

Purity/Quality:

98% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

Technology Process of 3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-5-(2-hydroxyethyl)-4-methylthiazolium chloride hydrochlor

There total 13 articles about 3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-5-(2-hydroxyethyl)-4-methylthiazolium chloride hydrochlor 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: 94.7%

(4-amino-2-methyl-pyrimidin-5-ylmethyl)-dicarbothioamidoic acid-(1-acetyl-3-hydroxy-propyl ester) (52164-53-1) → Thiamine hydrochloride (67-03-8,70732-86-4)

Guidance literature:

With hydrogenchloride; dihydrogen peroxide; In water; at -10 ℃; for 20h;

Reference yield:

5-hydroxyethyl-4-methylthiazole (137-00-8,8042-97-5) + 5-ethoxymethyl-2-methyl-pyrimidin-4-ylamine (73-66-5) → Thiamine hydrochloride (67-03-8,70732-86-4)

Guidance literature:

5-ethoxymethyl-2-methyl-pyrimidin-4-ylamine; With hydrogenchloride; In water; at 90 - 95 ℃; for 5h;

5-hydroxyethyl-4-methylthiazole; at 102 ℃; for 4h;

DOI:10.1007/BF02508118

Reference yield:

5-Acetoxy-3-chloropentan-2-one (13051-49-5) → Thiamine hydrochloride (67-03-8,70732-86-4)

Guidance literature:

Multi-step reaction with 2 steps

1: 73.5 percent / KSH / methanol / 1 h / Ambient temperature

2: 1.) HCOOH, 2.) HCl / 1.) 30 min, RT, 2.) EtOH, 30 min, RT

With hydrogenchloride; formic acid; potassium hydrosulfide; In methanol;

DOI:10.1002/hlca.19900730518

upstream raw materials:

4-Amino-2-methyl-5-thioformamidomethylpyrimidin

5-Acetoxy-3-chloropentan-2-one

3,4-Dihydro-7-methylpyrimido<4,5-d>pyrimidine

3-Mercapto-4-oxopentyl Acetate

Downstream raw materials:

N-(4-amino-2-methyl-pyrimidin-5-ylmethyl)-N-(4-hydroxy-1-methyl-2-phenyldisulfanyl-but-1-enyl)-formamide

thiamine monophosphate chloride hydrochloride

4-(thiamine)phthalonitrile

Thiamin-thiazolon-O-benzoat

Refernces

• 1、 -. "METHOD FOR PREPARATION OF THIAZOLE DERIVATIVES". Page/Page column 8; 15. . Retrieved 2014/03/25.
• 2、 Litvak. "Possible impurities in 2-methyl-4-amino-5-chloromethylpyrimidine and the resulting quality of vitamin B1". . p. 101 - 103. Retrieved 2007/10/03.