2-Bromo-1-(thiazol-2-yl)ethanone

Base Information

• Chemical Name: 2-Bromo-1-(thiazol-2-yl)ethanone
• CAS No.: 3292-77-1
• Molecular Formula: C5H4 Br N O S
• Molecular Weight: 206.063
• Hs Code.: 2934100090
• European Community (EC) Number: 810-219-0
• DSSTox Substance ID: DTXSID20383584
• Wikidata: Q72451341
• Mol file: 3292-77-1.mol

Synonyms:3292-77-1;2-bromo-1-(thiazol-2-yl)ethanone;2-bromo-1-(1,3-thiazol-2-yl)ethanone;2-(BROMOACETYL)-1,3-THIAZOLE;2-Bromo-1-thiazol-2-yl-ethanone;2-bromo-1-(1,3-thiazol-2-yl)ethan-1-one;Ethanone, 2-bromo-1-(2-thiazolyl)-;2-Bromo-1-(1,3-thiazol-2-yl)-1-ethanone;1-BROMO-(1,3-THIAZOLE-2-YL)ETHANE-2-ONE;2-bromoacetylthiazole;2-bromoacetyl thiazole;SCHEMBL230444;DTXSID20383584;AQRFTRDAOYSMEA-UHFFFAOYSA-N;BCP07589;CS-D0891;2-Bromo-1-(2-thiazolyl)-ethanone;2-bromo-1-(thiazol-2-yl)-ethanone;AKOS005069284;AM100666;BL005497;BP-20204;A5886;FT-0679925;EN300-176891;A821523;10T-0046;2-bromo-1-(1,3-thiazol-2-yl)ethanone, AldrichCPR;W-202351

Chemical Property of 2-Bromo-1-(thiazol-2-yl)ethanone

Chemical Property:

• Vapor Pressure: 0.009mmHg at 25°C
• Melting Point: 54-55 ºC
• Refractive Index: 1.61
• Boiling Point: 266.7°Cat760mmHg
• PKA: -0.40±0.10(Predicted)
• Flash Point: 115.1°C
• PSA: 58.20000
• Density: 1.763g/cm³
• LogP: 1.72070
• Storage Temp.: under inert gas (nitrogen or Argon) at 2-8°C
• Solubility.: Acetonitrile (Slightly), Chloroform (Sparingly)
• XLogP3: 1.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 204.91970
• Heavy Atom Count: 9
• Complexity: 120

Purity/Quality:

97% ^*data from raw suppliers

2-Bromo-1-(1,3-thiazol-2-yl)ethanone ^*data from reagent suppliers

Safty Information:

• Hazard Codes: C,Xn
• Statements: 34-22
• Safety Statements: 22-26-36/37/39-45

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CSC(=N1)C(=O)CBr

Technology Process of 2-Bromo-1-(thiazol-2-yl)ethanone

There total 9 articles about 2-Bromo-1-(thiazol-2-yl)ethanone 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: 88.0%

1,3-thiazole (288-47-1) + ethyl bromoacetate (105-36-2) → 2-bromo-1-thiazol-2-yl-ethanone (3292-77-1)

Guidance literature:

1,3-thiazole; With n-butyllithium; In diethyl ether; hexane; at -78 ℃; for 0.25h;

ethyl bromoacetate; In diethyl ether; hexane; at 20 ℃;

Reference yield: 88.0%

2-Acetylthiazole (24295-03-2,260998-74-1) → 2-bromo-1-thiazol-2-yl-ethanone (3292-77-1)

Guidance literature:

With trimethylphenylammonium tribromide; In tetrahydrofuran; dichloromethane;

Reference yield: 76.0%

1,3-thiazole (288-47-1) + bromoacetic acid methyl ester (96-32-2) → 2-bromo-1-thiazol-2-yl-ethanone (3292-77-1)

Guidance literature:

1,3-thiazole; With n-butyllithium; In hexanes; diethyl ether; at -78 ℃; for 0.25h;

bromoacetic acid methyl ester; In hexanes; diethyl ether; at -78 - 20 ℃;

upstream raw materials:

2-Acetylthiazole

2-bromo-1,3-thiazole

ethyl bromoacetate

2-(trimethylsilyl)thiazole

Downstream raw materials:

((2-thiazolylcarbonyl)methyl)triphenylphosphonium bromide

tert-butyl 4-(2-(4-(1H-pyrrolo[2,3-b]pyridin-1-yl)phenyl)-4-(thiazol-2-yl)-1H-imidazol-1-yl)benzylmethylcarbamate

2-{2-[3-(3-Morpholin-4-yl-propoxy)-phenyl]-pyrrolidin-1-yl}-1-thiazol-2-yl-ethanone

methyl 3-O-benzyl-2-deoxy-1-(2-thiazolyl)-α-D-threo-pentopyranoside