2-Bromothiazole-4-carbaldehyde

Base Information

• Chemical Name: 2-Bromothiazole-4-carbaldehyde
• CAS No.: 5198-80-1
• Molecular Formula: C4H2BrNOS
• Molecular Weight: 192.036
• Hs Code.: 29341000
• European Community (EC) Number: 690-843-6
• DSSTox Substance ID: DTXSID10590503
• Wikidata: Q72512871
• Mol file: 5198-80-1.mol

Synonyms:5198-80-1;2-Bromothiazole-4-carbaldehyde;2-Bromo-4-formylthiazole;2-bromo-1,3-thiazole-4-carbaldehyde;2-Bromo-4-fomylthiazole;2-Bromothiazole-4-carboxaldehyde;2-Bromo-1,3-thiazole-4-carboxaldehyde;MFCD04115726;4-Thiazolecarboxaldehyde, 2-bromo-;SCHEMBL30344;DTXSID10590503;2-bromo-4-thiazole carboxaldehyde;MNQVIZWWCRPZOK-UHFFFAOYSA-N;BCP07081;BBL103318;STL557128;2-Bromo-4-formylthiazole, AldrichCPR;AKOS005256196;CS-W010715;PS-4071;SY031623;DB-020634;A7649;AM20100278;EN300-125403;2-BROMO-4-FORMYLTHIAZOLE

Chemical Property of 2-Bromothiazole-4-carbaldehyde

Chemical Property:

• Vapor Pressure: 0.009mmHg at 25°C
• Melting Point: 132-135 °C
• Refractive Index: 1.666
• Boiling Point: 264.856 °C at 760 mmHg
• PKA: -1.37±0.10(Predicted)
• Flash Point: 113.981 °C
• PSA: 58.20000
• Density: 1.921 g/cm³
• LogP: 1.71810
• Storage Temp.: Keep Cold
• XLogP3: 1.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 190.90405
• Heavy Atom Count: 8
• Complexity: 100

Purity/Quality:

97% ^*data from raw suppliers

2-Bromothiazole-4-carbaldehyde ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi,Xn
• Statements: 22-41-43
• Safety Statements: 26-36/37-39

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=C(N=C(S1)Br)C=O

Technology Process of 2-Bromothiazole-4-carbaldehyde

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

(2-bromo-1,3-thiazol-4-yl)methanol (5198-86-7) → 2-bromothiazole-4-carbaldehyde (5198-80-1)

Guidance literature:

With oxalyl dichloride; dimethyl sulfoxide; triethylamine; In dichloromethane; at -75 - 10 ℃; for 3h;

DOI:10.1134/S1070363217120039

Reference yield: 72.0%

ethyl 2-bromothiazole-4-carboxylate (100367-77-9) → 2-bromothiazole-4-carbaldehyde (5198-80-1)

Guidance literature:

With diisobutylaluminium hydride; In tetrahydrofuran; dichloromethane; at -78 ℃; for 5h;

DOI:10.1016/S0957-4166(98)00104-9

Reference yield:

2-bromo-N-methoxy-N-methyl-1,3-thiazole-4-carboxamide (888314-10-1) → 2-bromothiazole-4-carbaldehyde (5198-80-1)

Guidance literature:

With diisobutylaluminium hydride; In tetrahydrofuran; at -78 ℃; for 2h;

upstream raw materials:

ethyl 2-bromothiazole-4-carboxylate

2-bromo-N-methoxy-N-methyl-1,3-thiazole-4-carboxamide

(2-bromo-1,3-thiazol-4-yl)methanol

Downstream raw materials:

(2-bromo-1,3-thiazol-4-yl)methanol

(2-bromothiazol-4-ylmethyl)(4-fluorophenyl)amine

(2-bromo-1,3-thiazol-4-yl)(3-methoxyphenyl)methanol

2-amino-4-(2-bromo-1,3-thiazol-4-yl)-6-sulfanylpyridine-3,5-dicarbonitrile