2-Bromothiazole-5-methanol

Base Information

• Chemical Name: 2-Bromothiazole-5-methanol
• CAS No.: 687636-93-7
• Molecular Formula: C4H4 Br N O S
• Molecular Weight: 194.052
• Hs Code.: 2934100090
• European Community (EC) Number: 640-165-1
• DSSTox Substance ID: DTXSID00428422
• Wikidata: Q72512897
• Mol file: 687636-93-7.mol

Synonyms:2-Bromothiazole-5-methanol;687636-93-7;2-Bromo-5-hydroxymethylthiazole;(2-bromothiazol-5-yl)methanol;(2-bromo-1,3-thiazol-5-yl)methanol;(2-bromo-thiazol-5-yl)-methanol;MFCD04115733;5-Thiazolemethanol,2-bromo-;2-Bromo-5-thiazolemethanol;SCHEMBL606580;DTXSID00428422;DWNJWSPPORNJGV-UHFFFAOYSA-N;AKOS005255805;AB20494;CS-W008914;FS-2560;BP-13106;SY040567;AM20100637;FT-0647245;EN300-118628;A836242;J-500678

Chemical Property of 2-Bromothiazole-5-methanol

Chemical Property:

• Vapor Pressure: 0.001mmHg at 25°C
• Melting Point: 46-48oC
• Boiling Point: 288.3°Cat760mmHg
• PKA: 13.23±0.10(Predicted)
• Flash Point: 128.1°C
• PSA: 61.36000
• Density: 1.899g/cm³
• LogP: 1.39790
• Storage Temp.: Keep in dark place,Sealed in dry,Room Temperature
• XLogP3: 1.1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 192.91970
• Heavy Atom Count: 8
• Complexity: 82.4

Purity/Quality:

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

2-Bromothiazole-5-methanol ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi,Xn
• Statements: 22

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=C(SC(=N1)Br)CO

Technology Process of 2-Bromothiazole-5-methanol

There total 4 articles about 2-Bromothiazole-5-methanol 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%

methyl 2-bromo-1,3-thiazole-5-carboxylate (54045-74-8) → (2-bromothiazole-5-yl)methanol (687636-93-7)

Guidance literature:

With sodium tetrahydroborate; water; lithium chloride; In tetrahydrofuran; at 20 ℃; for 6h;

Reference yield: 88.0%

ethyl 2-bromo-1,3-thiazole-5-carboxylate (41731-83-3) → (2-bromothiazole-5-yl)methanol (687636-93-7)

Guidance literature:

ethyl 2-bromo-1,3-thiazole-5-carboxylate; With diisobutylaluminium hydride; In dichloromethane; at 0 - 20 ℃; for 6h;

With methanol; water; rochelle salt; In diethyl ether;

Reference yield: 64.0%

2-bromo-1,3-thiazole-5-carbaldehyde (464192-28-7) → (2-bromothiazole-5-yl)methanol (687636-93-7)

Guidance literature:

With sodium tetrahydroborate; In methanol; at 0 ℃; for 5h;

upstream raw materials:

methyl 2-bromo-1,3-thiazole-5-carboxylate

2-bromo-1,3-thiazole-5-carbaldehyde

ethyl 2-bromo-1,3-thiazole-5-carboxylate

Downstream raw materials:

2-bromo-5-(bromomethyl)-1,3-thiazole

2-bromo-1,3-thiazole-5-carbaldehyde

5-(2-bromothiazol-5-ylmethoxy)-2,2,6,6-tetramethylcyclohex-4-ene-1,3-dione

N-(5-{[(2-chlorophenyl)oxy]methyl}-1,3,4-thiadiazol-2-yl)-2-[5-(hydroxymethyl)-1,3-thiazol-2-yl]-1,2,3,4-tetrahydro-6-isoquinolinecarboxamide

Refernces

• 1、 -. "PqsR INVERSE AGONISTS". Page/Page column 52; 55; 57; 58; 59. . Retrieved 2020/01/31.
• 2、 -. "Preparation method of 2-(2-bromo-1,3-thiazol-5-yl) acetonitrile". Paragraph 0021-0024; 0030-0032; 0038-0040. . Retrieved 2019/12/02.