N-(2-Chloroethyl)acetamide

Base Information

• Chemical Name: N-(2-Chloroethyl)acetamide
• CAS No.: 7355-58-0
• Molecular Formula: C4H8ClNO
• Molecular Weight: 121.567
• Hs Code.: 29241900
• European Community (EC) Number: 230-884-5
• NSC Number: 30247
• DSSTox Substance ID: DTXSID90223746
• Nikkaji Number: J54.060I
• Wikidata: Q72449963
• Mol file: 7355-58-0.mol

Synonyms:N-(2-Chloroethyl)acetamide;7355-58-0;Acetamide, N-(2-chloroethyl)-;N-(2-Chloro-ethyl)-acetamide;EINECS 230-884-5;NSC 30247;BRN 1743108;AI3-08685;4-04-00-00449 (Beilstein Handbook Reference);N-Acetyl-2-chloroethylamine;NSC30247;MFCD00000965;N(2-chloroethyl)acetamide;N-2-chloroethyl acetamide;N-Acetyl-ss-chlorathylamin;N-(2-chloroethyl)-acetamide;SCHEMBL295312;DTXSID90223746;NSC-30247;ACETAMIDE,N-(2-CHLOROETHYL)-;AKOS008968639;LS-8523;N-(2-Chloroethyl)acetamide, AldrichCPR;FT-0629119;EN300-11839;A848541;Z57983106

Chemical Property of N-(2-Chloroethyl)acetamide

Chemical Property:

• Appearance/Colour: clear colorless to slightly yellow viscous liquid
• Vapor Pressure: 0.00506mmHg at 25°C
• Refractive Index: 1.477-1.48
• Boiling Point: 275.6 °C at 760 mmHg
• PKA: 15.50±0.46(Predicted)
• Flash Point: 120.4 °C
• PSA: 29.10000
• Density: 1.086 g/cm³
• LogP: 0.75220
• Storage Temp.: 2-8°C
• XLogP3: 0.1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 121.0294416
• Heavy Atom Count: 7
• Complexity: 64.7

Purity/Quality:

98%,99%, ^*data from raw suppliers

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

Safty Information:

• Pictogram(s): Xn
• Hazard Codes: Xn,T
• Statements: 33-25
• Safety Statements: 24/25-45

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(=O)NCCCl

Technology Process of N-(2-Chloroethyl)acetamide

There total 6 articles about N-(2-Chloroethyl)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: 87.0%

2-methyl-4,5-dihydro-1,3-oxazole (1120-64-5,26375-28-0) + chloro-trimethyl-silane (75-77-4) → N-(2-chloro-ethyl)-acetamide (7355-58-0)

Guidance literature:

In methanol; at 20 ℃; for 20h; var.: solvent, time;

DOI:10.1246/cl.1984.1243

Reference yield: 82.0%

2-methyl-4,5-dihydro-1,3-oxazole (1120-64-5,26375-28-0) → N-(2-chloro-ethyl)-acetamide (7355-58-0)

Guidance literature:

With chloro-trimethyl-silane; In methanol; at 20 ℃; for 24h;

DOI:10.1016/j.bmc.2016.12.031

Reference yield: 64.0%

2-chloroethanamine hydrochloride (870-24-6) + acetyl chloride (75-36-5) → N-(2-chloro-ethyl)-acetamide (7355-58-0)

Guidance literature:

2-chloroethanamine hydrochloride; With triethylamine; In dichloromethane; at 20 ℃; for 1h;

acetyl chloride; In dichloromethane; at 20 ℃; for 8h;

DOI:10.3762/bjoc.7.34

upstream raw materials:

2-acetylaminoethanol

ethyleneimine

acetyl chloride

2-methyl-4,5-dihydro-1,3-oxazole

Downstream raw materials:

N-(2-chloroethyl)-N-nitrosoacetamide

acetylaminoethylene

2-methyl-4,5-dihydro-1,3-oxazole

N-(2-chloroethyl)-N-(2-nitrobenzyl)acetamide

Refernces

• 1、 Ghosh, Kumaresh,Kar, Debasis. "Fluorometric recognition of both dihydrogen phosphate and iodide by a new flexible anthracene linked benzimidazolium-based receptor". experimental part. p. 254 - 264. Retrieved 2011/06/09.