5-Hydroxymethylthiazole

Base Information

• Chemical Name: 5-Hydroxymethylthiazole
• CAS No.: 38585-74-9
• Molecular Formula: C4H5NOS
• Molecular Weight: 115.156
• Hs Code.: 29349990
• European Community (EC) Number: 414-780-9,609-565-3
• UNII: 73J5JZ943W
• DSSTox Substance ID: DTXSID40376817
• Nikkaji Number: J674.655A
• Wikidata: Q72480491
• Mol file: 38585-74-9.mol

Synonyms:38585-74-9;5-Hydroxymethylthiazole;Thiazol-5-ylmethanol;5-(Hydroxymethyl)thiazole;1,3-thiazol-5-ylmethanol;5-Thiazolemethanol;Thiazole-5-methanol;thiazol-5-yl-methanol;5-thiazolylmethanol;(thiazol-5-yl)methanol;5-hydroxymethyl thiazole;5-(hydroxymethyl)-1,3-thiazole;(1,3-thiazol-5-yl)methanol;73J5JZ943W;MFCD04115732;EC 414-780-9;SCHEMBL27862;UNII-73J5JZ943W;DTXSID40376817;WKBQQWDVVHGWDB-UHFFFAOYSA-N;BCP21106;5-(hydroxymethyl)thiazole, AldrichCPR;AKOS012051771;AB20492;AC-7854;AS-5535;CS-W013621;5-(Hydroxymethyl)-1,3-thiazole 98%;BP-10955;SY002035;AM20100025;BB 0296190;FT-0639481;T2779;EN300-91124;A19609;Q-200546

Chemical Property of 5-Hydroxymethylthiazole

Chemical Property:

• Appearance/Colour: Pale-yellow oil
• Vapor Pressure: 0.0128mmHg at 25°C
• Refractive Index: 1.594
• Boiling Point: 248.5 °C at 760 mmHg
• PKA: 13.61±0.10(Predicted)
• Flash Point: 104.1 °C
• PSA: 61.36000
• Density: 1.339 g/cm³
• LogP: 0.63540
• Storage Temp.: Inert atmosphere,Store in freezer, under -20°C
• Solubility.: Chloroform, Methanol
• XLogP3: 0.1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 115.00918496
• Heavy Atom Count: 7
• Complexity: 59.7

Purity/Quality:

99% ^*data from raw suppliers

5-Thiazolemethanol ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xn, Xi
• Hazard Codes: Xi,Xn
• Statements: 36/37/38-52/53-41-40
• Safety Statements: 26-36/37/39-61-39-36-22

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=C(SC=N1)CO
• Uses: 5-Thiazolemethanol (cas# 38585-74-9) is a compound useful in organic synthesis.

Technology Process of 5-Hydroxymethylthiazole

There total 11 articles about 5-Hydroxymethylthiazole 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%

(4-bromo-1,3-thiazol-5-yl)methanol (262444-15-5) → thiazol-5-yl-methanol (38585-74-9)

Guidance literature:

With hydrogen; sodium acetate; palladium; In methanol; under 760.051 Torr;

DOI:10.1002/jlcr.1576

Reference yield: 94.0%

(2,4-dibromo-1,3-thiazol-5-yl)methanol (170232-68-5) → thiazol-5-yl-methanol (38585-74-9)

Guidance literature:

With hydrogen; sodium acetate; palladium on activated charcoal; In methanol; at 23 ℃; for 10h; under 3040 Torr;

DOI:10.1080/00397919508011810

Reference yield: 90.0%

ethyl thiazole-5-carboxylate (32955-22-9) → thiazol-5-yl-methanol (38585-74-9)

Guidance literature:

With lithium aluminium tetrahydride; In tetrahydrofuran; at 0 ℃; for 0.5h;

DOI:10.1021/acs.jmedchem.7b00179

upstream raw materials:

ethyl thiazole-5-carboxylate

(2,4-dibromo-1,3-thiazol-5-yl)methanol

2,4-dichloro-5-(hydroxymethyl)thiazole

thiazole-5-carboxaldehyde

Downstream raw materials:

{(1S,2R)-3-[(2-amino-benzothiazole-6-sulfonyl)-isobutyl-amino]-1-benzyl-2-hydroxypropyl}-carbamic acid thiazol-5-ylmethyl ester

((5-thiazolyl)methyl)-(4-nitrophenyl)carbonate

thiazole-5-carboxaldehyde

2-Fluoro-4-(thiazol-5-ylmethoxy)benzonitrile

Refernces

• 1、 -. "METHYL SULFANYL PYRMIDMES USEFUL AS ANTIINFLAMMATORIES, ANALGESICS, AND ANTIEPILEPTICS". Page/Page column 112. . Retrieved 2010/12/18.
• 2、 Ma, Xiaohua,Ma, Fei,Zhao, Zhenhua,Song, Naiheng,Zhang, Jianping. "Synthesis and properties of NLO chromophores with fine-tuned gradient electronic structures". supporting information; experimental part. p. 2975 - 2985. Retrieved 2010/05/02.