N-(2,6-Dichlorophenyl)acetamide

Base Information

• Chemical Name: N-(2,6-Dichlorophenyl)acetamide
• CAS No.: 17700-54-8
• Molecular Formula: C8H7 Cl2 N O
• Molecular Weight: 204.056
• Hs Code.: 2924299090
• European Community (EC) Number: 241-706-0
• NSC Number: 158653
• DSSTox Substance ID: DTXSID30170240
• Nikkaji Number: J29.482I
• Wikidata: Q83040139
• Mol file: 17700-54-8.mol

Synonyms:N-(2,6-Dichlorophenyl)acetamide;2,6-Dichloroacetanilide;17700-54-8;2',6'-Dichloroacetanilide;Acetamide, N-(2,6-dichlorophenyl)-;ACETANILIDE, 2',6'-DICHLORO-;EINECS 241-706-0;NSC 158653;BRN 2096165;Acetamide, N-(2,6-dichlorophenyl)- (9CI);0-12-00-00626 (Beilstein Handbook Reference);Acetanilide,6'-dichloro-;Acetamide,6-dichlorophenyl)-;SCHEMBL1272335;DTXSID30170240;N-(2,6-Dichlorophenyl)acetamide #;MFCD00013629;NSC158653;STK361857;AKOS000282488;NSC-158653;SB78126;CS-0320793;FT-0610590;AE-848/00866009

Chemical Property of N-(2,6-Dichlorophenyl)acetamide

Chemical Property:

• Vapor Pressure: 7.08E-05mmHg at 25°C
• Melting Point: 180-181°C
• Boiling Point: 343.4°C at 760 mmHg
• PKA: 13.26±0.70(Predicted)
• Flash Point: 161.5°C
• PSA: 29.10000
• Density: 1.393g/cm³
• LogP: 3.02480
• Storage Temp.: Room Temperature
• Solubility.: Chloroform (Slightly), Methanol (Slightly)
• XLogP3: 1.3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 202.9904692
• Heavy Atom Count: 12
• Complexity: 164

Purity/Quality:

99% ^*data from raw suppliers

2'',6''-Dichloroacetanilide ^*data from reagent suppliers

Safty Information:

• Pictogram(s): R22:Harmful if swallowed.
• Hazard Codes: R22:Harmful if swallowed.
• Statements: R22:Harmful if swallowed.
• Safety Statements: 22-24/25

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(=O)NC1=C(C=CC=C1Cl)Cl
• Uses: 2'',6''-Dichloroacetanilide can be used for pharmacological activity and biological study for dynamic method of determination of octanol-water partition coefficient of 2,4-dihydroxythiobenzanilides in QSAR studies.

Technology Process of N-(2,6-Dichlorophenyl)acetamide

There total 8 articles about N-(2,6-Dichlorophenyl)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: 100.0%

acetic acid (64-19-7,77671-22-8) + acetyl chloride (75-36-5) + 2,6-Dichloroaniline (608-31-1) → 2,6-dichloroacetanilide (17700-54-8)

Guidance literature:

at 90 ℃; for 0.333333h;

Reference yield: 97.0%

acetic anhydride (108-24-7) + 2,6-Dichloroaniline (608-31-1) → 2,6-dichloroacetanilide (17700-54-8)

Guidance literature:

With supported L-pyrrolidine-2-carboxylic acid-4-hydrogen sulfate on Silica Gel; at 20 ℃; for 1.2h; Green chemistry;

DOI:10.2174/1570178611310050004

Reference yield: 96.0%

acetyl chloride (75-36-5) + 2,6-Dichloroaniline (608-31-1) → 2,6-dichloroacetanilide (17700-54-8)

Guidance literature:

In acetic acid;

upstream raw materials:

acetyl chloride

2,6-Dichloroaniline

acetic anhydride

N-(o-chlorophenyl)-acetohydroxamic acid

Downstream raw materials:

4-bromo-2,6-dichloroacetanilide

2,6-dichloro-3-nitroaniline

N-(2,6-dichloro-3-nitrophenyl)acetamide

N,N-diethyl-glycine-(2,6-dichloro-4-methylsulfanyl-anilide)

Refernces

• 1、 Liu, Feng,Wu, Na,Cheng, Xu. "Chlorination Reaction of Aromatic Compounds and Unsaturated Carbon-Carbon Bonds with Chlorine on Demand". supporting information. p. 3015 - 3020. Retrieved 2021/05/05.
• 2、 -. "AMINE-SUBSTITUTED HETEROCYCLIC COMPOUNDS AS EHMT2 INHIBITORS AND DERIVATIVES THEREOF". Paragraph 0582. . Retrieved 2019/05/10.