4-Hydroxymethylthiazole

Base Information

• Chemical Name: 4-Hydroxymethylthiazole
• CAS No.: 7036-04-6
• Molecular Formula: C4H5NOS
• Molecular Weight: 115.156
• Hs Code.: 2934100090
• European Community (EC) Number: 672-899-3
• DSSTox Substance ID: DTXSID80376816
• Nikkaji Number: J2.226.429J
• Wikidata: Q72480495
• Mol file: 7036-04-6.mol

Synonyms:7036-04-6;4-Hydroxymethylthiazole;4-(Hydroxymethyl)thiazole;thiazole-4-methanol;thiazol-4-ylmethanol;1,3-thiazol-4-ylmethanol;4-THIAZOLEMETHANOL;(1,3-thiazol-4-yl)methanol;4-(hydroxymethyl)-1,3-thiazole;4-thiazolylmethanol;(4-thiazolyl)methanol;thiazol-4-yl-methanol;SCHEMBL243566;DTXSID80376816;WQVOUANKVCYEIQ-UHFFFAOYSA-N;MFCD04115728;4-(hydroxymethyl)thiazole, AldrichCPR;AKOS009592608;AB20478;AC-7853;CS-W003988;PS-5459;3-amino-6-bromo-pyridin-2-olhydrobromide;AM20100663;FT-0636339;EN300-211052;A836858;J-513752;W-204304;F2173-0020

Chemical Property of 4-Hydroxymethylthiazole

Chemical Property:

• Vapor Pressure: 0.0128mmHg at 25°C
• Melting Point: 112-114 °C(Solv: ethyl ether (60-29-7); ethanol (64-17-5))
• Refractive Index: 1.594
• Boiling Point: 248.5 °C at 760 mmHg
• PKA: 13.21±0.10(Predicted)
• Flash Point: 104.1 °C
• PSA: 61.36000
• Density: 1.339 g/cm³
• LogP: 0.63540
• Storage Temp.: 2-8°C
• 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:

98%,99%, ^*data from raw suppliers

4-(Hydroxymethyl)-1,3-thiazole 95% ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 37/38-41
• Safety Statements: 26-39

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=C(N=CS1)CO

Technology Process of 4-Hydroxymethylthiazole

There total 6 articles about 4-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: 92.0%

ethyl thiazole-4-carboxylate (14527-43-6) → 1,3-thiazol-4-ylmethanol (7036-04-6)

Guidance literature:

ethyl thiazole-4-carboxylate; With lithium aluminium tetrahydride; In tetrahydrofuran; at 0 - 20 ℃; for 1h;

With ethyl acetate; In tetrahydrofuran;

With sodium hydroxide; water; In tetrahydrofuran;

Reference yield: 74.3%

1,3-thiazole-4-carbaldehyde (3364-80-5) → 1,3-thiazol-4-ylmethanol (7036-04-6)

Guidance literature:

With methanol; sodium tetrahydroborate; at 0 ℃; for 1h;

Reference yield:

Thiazole-4-carboxylic acid (3973-08-8) → 1,3-thiazol-4-ylmethanol (7036-04-6)

Guidance literature:

With dimethylsulfide borane complex; In tetrahydrofuran; at 0 ℃; for 24h;

upstream raw materials:

thiazol-4-ylmethyl acetate

ethyl thiazole-4-carboxylate

Thiazole-4-carboxylic acid

4-Methylthiazole

Downstream raw materials:

thiazol-4-ylmethyl acetate

C₁₉H₂₄N₂O₄S

Refernces

• 1、 -. "PERFLUORINATED CYCLOPROPYL FUSED 1,3-OXAZIN-2-AMINE COMPOUNDS AS BETA-SECRETASE INHIBITORS AND METHODS OF USE". Page/Page column 167; 168. . Retrieved 2014/09/29.
• 2、 -. "PYRIMIDINE DERIVATIVES AS PI3K INHIBITORS". Page/Page column 97. . Retrieved 2008/06/13.