2-Chloro-4-fluorophenacyl bromide

Base Information

• Chemical Name: 2-Chloro-4-fluorophenacyl bromide
• CAS No.: 61397-54-4
• Molecular Formula: C8H5BrClFO
• Molecular Weight: 251.483
• Hs Code.: 2914700090
• European Community (EC) Number: 820-399-2
• DSSTox Substance ID: DTXSID00503687
• Wikidata: Q82357684
• Mol file: 61397-54-4.mol

Synonyms:2-Chloro-4-fluorophenacyl bromide;61397-54-4;2-bromo-1-(2-chloro-4-fluorophenyl)ethanone;2-bromo-1-(2-chloro-4-fluorophenyl)ethan-1-one;MFCD08059508;Ethanone, 2-bromo-1-(2-chloro-4-fluorophenyl)-;SCHEMBL3322169;2-Chloro-4-fluorophenacylbromide;DTXSID00503687;GPPRXWUEJFPEDL-UHFFFAOYSA-N;AKOS013658062;AS-40966;SY064717;CS-0211703;2-bromo-1-(2-chloro-4-fluoro-phenyl)ethanone

Chemical Property of 2-Chloro-4-fluorophenacyl bromide

Chemical Property:

• Boiling Point: 256.3±25.0 °C(Predicted)
• PSA: 17.07000
• Density: 1.673±0.06 g/cm3(Predicted)
• LogP: 3.05670
• Sensitive.: Lachrymatory
• XLogP3: 3.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 249.91963
• Heavy Atom Count: 12
• Complexity: 176

Purity/Quality:

95% ^*data from raw suppliers

2-Chloro-4-fluorophenacylbromide ^*data from reagent suppliers

Safty Information:

• Hazard Codes: C

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=C(C=C1F)Cl)C(=O)CBr

Technology Process of 2-Chloro-4-fluorophenacyl bromide

There total 1 articles about 2-Chloro-4-fluorophenacyl bromide 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:

2'-chloro-4'-fluoroacetophenone (700-35-6) → 2-bromo-1-(2-chloro-4-fluorophenyl)ethan-1-one (61397-54-4)

Guidance literature:

With bromine; Reflux;

DOI:10.1002/ardp.202000140

Reference yield: 96.0%

1-(4-bromophenyl)thiourea (2646-30-2) + 2-bromo-1-(2-chloro-4-fluorophenyl)ethan-1-one (61397-54-4) → 2-(4-bromophenylamino)-4-(2-chloro-4-fluorophenyl)thiazole (1239982-56-9)

Guidance literature:

1-(4-bromophenyl)thiourea; 2-bromo-1-(2-chloro-4-fluorophenyl)ethan-1-one; In ethanol; at 30 - 35 ℃; for 1.25h; Sonication;

With ammonium hydroxide; In ethanol;

DOI:10.1080/10426500903036014

Reference yield: 95.5%

2-bromo-1-(2-chloro-4-fluorophenyl)ethan-1-one (61397-54-4) + N-(4-chlorophenyl)thiourea (3696-23-9) → 2-(4-chlorophenylamino)-4-(2-chloro-4-fluorophenyl)thiazole (1239982-57-0)

Guidance literature:

2-bromo-1-(2-chloro-4-fluorophenyl)ethan-1-one; N-(4-chlorophenyl)thiourea; In ethanol; at 30 - 35 ℃; for 2h; Sonication;

With ammonium hydroxide; In ethanol;

DOI:10.1080/10426500903036014

upstream raw materials:

2'-chloro-4'-fluoroacetophenone

Downstream raw materials:

(4-bromo-phenyl)-[5-(2-chloro-4-fluoro-phenyl)-thiazol-2-yl]-amine

[5-(2-chloro-4-fluoro-phenyl)-thiazol-2-yl]-(4-chloro-phenyl)-amine

2-(4-bromophenylamino)-4-(2-chloro-4-fluorophenyl)thiazole

2-(4-chlorophenylamino)-4-(2-chloro-4-fluorophenyl)thiazole

Refernces