N-(4-bromo-2-chlorophenyl)-2-chloroacetamide

Base Information

• Chemical Name: N-(4-bromo-2-chlorophenyl)-2-chloroacetamide
• CAS No.: 195372-57-7
• Molecular Formula: C₈H₆BrCl₂NO
• Molecular Weight: 282.952
• Hs Code.: 2924299090
• DSSTox Substance ID: DTXSID30391251
• Wikidata: Q82188590
• Mol file: 195372-57-7.mol

Synonyms:N-(4-bromo-2-chlorophenyl)-2-chloroacetamide;195372-57-7;DTXSID30391251;BBL013581;MFCD00157385;STK408452;AKOS000305608;4'-BROMO-2,2'-CHLOROACETANILIDE;VS-03873;CS-0206197;EN300-24570;Z57320466

Chemical Property of N-(4-bromo-2-chlorophenyl)-2-chloroacetamide

Chemical Property:

• Vapor Pressure: 1.35E-06mmHg at 25°C
• Refractive Index: 1.634
• Boiling Point: 399.6°C at 760 mmHg
• Flash Point: 195.5°C
• PSA: 29.10000
• Density: 1.746g/cm³
• LogP: 3.35280
• XLogP3: 2.9
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 280.90098
• Heavy Atom Count: 13
• Complexity: 191

Purity/Quality:

98%min ^*data from raw suppliers

N-(4-Bromo-2-chlorophenyl)-2-chloroacetamide ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xi

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=C(C=C1Br)Cl)NC(=O)CCl

Technology Process of N-(4-bromo-2-chlorophenyl)-2-chloroacetamide

There total 2 articles about N-(4-bromo-2-chlorophenyl)-2-chloroacetamide 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-bromoaniline (38762-41-3) + chloroacetyl chloride (79-04-9) → 4-bromo-2,2’-dichloroacetanilide (195372-57-7)

Guidance literature:

With triethylamine; In dichloromethane; Cooling with ice;

DOI:10.1021/acs.jafc.0c00724

Reference yield:

→ 4-bromo-2,2’-dichloroacetanilide (195372-57-7)

Guidance literature:

With triethylamine; In dichloromethane; at 20 ℃; for 2h; Cooling with ice;

Reference yield: 80.0%

4-(benzylideneamino)-3-mercapto-5-pyridin-4-yl-4H-1,2,4-triazole + 4-bromo-2,2’-dichloroacetanilide (195372-57-7) → (E)-2-((4-(benzylideneamino)-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl)thio)-N-(4-bromo-2-chlorophenyl)acetamide

Guidance literature:

4-(benzylideneamino)-3-mercapto-5-pyridin-4-yl-4H-1,2,4-triazole; With potassium hydroxide; In water;

4-bromo-2,2’-dichloroacetanilide; In ethanol; water; at 55 ℃; for 4.5h;

DOI:10.2174/1570180814666170727143806

upstream raw materials:

2-chloro-4-bromoaniline

chloroacetyl chloride

Refernces

• 1、 Chen, Shunhong,Dai, Ali,Guo, Shengxin,He, Feng,Luo, Dexia,Wu, Jian,Zhang, Renfeng. "Design, Synthesis, and Bioactivity of α-Ketoamide Derivatives Bearing a Vanillin Skeleton for Crop Diseases". . p. 7226 - 7234. Retrieved 2020/08/06.