2-chloro-N-(2-fluorobenzyl)acetamide

Base Information

• Chemical Name: 2-chloro-N-(2-fluorobenzyl)acetamide
• CAS No.: 895367-63-2
• Molecular Formula: C₉H₉ClFNO
• Molecular Weight: 201.628
• Hs Code.: 2924299090
• DSSTox Substance ID: DTXSID00585347
• Wikidata: Q82477281
• Mol file: 895367-63-2.mol

Synonyms:2-chloro-N-(2-fluorobenzyl)acetamide;895367-63-2;2-chloro-N-[(2-fluorophenyl)methyl]acetamide;2-Chloro-N-(2-fluoro-benzyl)-acetamide;SCHEMBL4038051;DTXSID00585347;MFCD08076774;AKOS000263279;SB77576;VS-06513;EN300-18525;G19148;J-509102;Z62500003

Chemical Property of 2-chloro-N-(2-fluorobenzyl)acetamide

Chemical Property:

• Vapor Pressure: 1.37E-05mmHg at 25°C
• Refractive Index: 1.522
• Boiling Point: 367.4°C at 760 mmHg
• Flash Point: 176°C
• PSA: 29.10000
• Density: 1.257g/cm³
• LogP: 2.07160
• XLogP3: 1.8
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 201.0356698
• Heavy Atom Count: 13
• Complexity: 177

Purity/Quality:

98%min ^*data from raw suppliers

2-chloro-N-(2-fluorobenzyl)acetamide ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xi

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C(=C1)CNC(=O)CCl)F

Technology Process of 2-chloro-N-(2-fluorobenzyl)acetamide

There total 2 articles about 2-chloro-N-(2-fluorobenzyl)acetamide 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: 98.0%

2-fluorobenzylamine (89-99-6) + chloroacetyl chloride (79-04-9) → 2-chloro-N-(2-fluorobenzyl)acetamide (895367-63-2)

Guidance literature:

With triethylamine; In dichloromethane; at -2 - 20 ℃; Inert atmosphere;

DOI:10.1021/jm401032k

Reference yield: 86.6%

→ 2-chloro-N-(2-fluorobenzyl)acetamide (895367-63-2)

Guidance literature:

With pyridine; In water; at 0 ℃; for 1h; Cooling with ice;

Reference yield: 45.5%

potassium [1,2,4]triazolo[1,5-c]quinazoline-2-thiolate + 2-chloro-N-(2-fluorobenzyl)acetamide (895367-63-2) → N-(2-fluorobenzyl)-2-([1,2,4]triazolo[1,5-c]quinazolin-2-ylthio)acetamide

Guidance literature:

In water; isopropyl alcohol; for 2h; Reflux;

DOI:10.1002/jhet.2702

upstream raw materials:

2-fluorobenzylamine

chloroacetyl chloride