N-(anilinocarbonyl)-2-chloroacetamide

Base Information

• Chemical Name: N-(anilinocarbonyl)-2-chloroacetamide
• CAS No.: 4791-23-5
• Molecular Formula: C9H9 Cl N2 O2
• Molecular Weight: 212.636
• Hs Code.: 2924299090
• DSSTox Substance ID: DTXSID50450470
• Wikidata: Q82270213
• ChEMBL ID: CHEMBL466947
• Mol file: 4791-23-5.mol

Synonyms:N-(anilinocarbonyl)-2-chloroacetamide;4791-23-5;2-chloro-N-(phenylcarbamoyl)acetamide;3-(2-chloroacetyl)-1-phenylurea;N-chloroacetyl-N'-phenylurea;CHEMBL466947;SCHEMBL11541521;DTXSID50450470;WYESSOGZWOBKGU-UHFFFAOYSA-N;AKOS009020748;EN300-14380;Z99601220

Chemical Property of N-(anilinocarbonyl)-2-chloroacetamide

Chemical Property:

• Refractive Index: 1.602
• PSA: 65.18000
• Density: 1.36g/cm³
• LogP: 2.42740
• XLogP3: 2.2
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 212.0352552
• Heavy Atom Count: 14
• Complexity: 215

Purity/Quality:

98%min ^*data from raw suppliers

3-(2-chloroacetyl)-1-phenylurea ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of N-(anilinocarbonyl)-2-chloroacetamide

There total 9 articles about N-(anilinocarbonyl)-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: 97.0%

6-chloromethyl 3-phenyl 2,4-dioxo 2,4-H 1,3,5-oxadiazine (174968-74-2) → N-chloroacetyl-N'-phenylurea (4791-23-5)

Guidance literature:

With water; In acetone; for 1h; Ambient temperature;

DOI:10.1080/00397919608086754

Reference yield: 95.0%

2-chloroacetylisocyanate (4461-30-7) + aniline hydrochloride (142-04-1,36663-09-9) → N-chloroacetyl-N'-phenylurea (4791-23-5)

Guidance literature:

With N-ethyl-N,N-diisopropylamine; In dichloromethane; at 20 ℃;

Reference yield: 94.0%

phenyl carbamate (64-10-8) + chloroacetyl chloride (79-04-9) → N-chloroacetyl-N'-phenylurea (4791-23-5)

Guidance literature:

In benzene; for 2h; Heating;

DOI:10.1080/00397919608005231

upstream raw materials:

phenyl carbamate

chloroacetyl chloride

phenyl isocyanate

Chloroacetamide

Downstream raw materials:

N-phenyl-N'-(N-p-tolyl-glycyl)-urea

N-phenyl-N'-(N-o-tolyl-glycyl)-urea

N--N'-phenyl-harnstoff

morpholine-4-carbodithioic acid 4-phenyl-allophanoylmethyl ester