3-chloro-N-methylbenzamide

Base Information

• Chemical Name: 3-chloro-N-methylbenzamide
• CAS No.: 18370-10-0
• Molecular Formula: C8H8ClNO
• Molecular Weight: 169.611
• Hs Code.: 2924299090
• European Community (EC) Number: 809-208-3
• DSSTox Substance ID: DTXSID30399959
• Nikkaji Number: J2.510.631H
• Wikidata: Q82202754
• Mol file: 18370-10-0.mol

Synonyms:3-chloro-N-methylbenzamide;18370-10-0;Benzamide, 3-chloro-N-methyl-;3-Chloro-N-methylbenzamide ,98per cent;(3-chlorophenyl)-N-methylcarboxamide;5-chloro-N-methylbenzamide;N-Methyl-3-chlorobenzamide;SCHEMBL3792674;DTXSID30399959;MFCD01214034;AKOS008932987;F81425;Z32016383

Chemical Property of 3-chloro-N-methylbenzamide

Chemical Property:

• PSA: 32.59000
• LogP: 2.27440
• XLogP3: 2.4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 169.0294416
• Heavy Atom Count: 11
• Complexity: 149

Purity/Quality:

99% ^*data from raw suppliers

3-Chloro-N-methylbenzamide 98% ^*data from reagent suppliers

Safty Information:

• Statements: 20/22-36/37/38
• Safety Statements: 26-37/39

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CNC(=O)C1=CC(=CC=C1)Cl

Technology Process of 3-chloro-N-methylbenzamide

There total 15 articles about 3-chloro-N-methylbenzamide 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: 99.0%

m-Chlorobenzoyl chloride (618-46-2) + methylamine (74-89-5) → 3-chloro-N-methyl-benzamide (18370-10-0)

Guidance literature:

With triethylamine; In diethyl ether; at 20 ℃; for 1h; Inert atmosphere;

DOI:10.1021/acs.joc.6b01609

Reference yield: 96.0%

3-(methylcarbamoyl)phenylboronic acid (832695-88-2) → 3-chloro-N-methyl-benzamide (18370-10-0)

Guidance literature:

With N-chloro-succinimide; copper(l) chloride; In acetonitrile; at 80 ℃; for 2h;

DOI:10.1021/0l9029337

Reference yield: 93.0%

methanol (67-56-1) + 3-chlorobenzamide (618-48-4) → 3-chloro-N-methyl-benzamide (18370-10-0)

Guidance literature:

With C₅₄H₄₃ClN₃P₂Ru⁽¹⁺⁾*F₆P^(1-); caesium carbonate; In toluene; at 140 ℃; for 24h; Inert atmosphere; Sealed tube; Green chemistry;

DOI:10.1021/acs.orglett.9b01925

upstream raw materials:

m-Chlorobenzoyl chloride

methylamine

propan-1-ol

3-chlorobenzoate

Downstream raw materials:

7-methoxy-2-methyl-3,4-diphenylisoquinolin-1(2H)-one

7-chloro-2-methyl-3,4-diphenylisoquinolin-1(2H)-one

3-chlorobenzophenone

ferrocene

Refernces

• 1、 Cao, Chengyao Kimmy,Chen, Chao,Ge, Chenxin,Niu, Yaru,Qu, Hongmei. "The Pd-catalyzed synthesis of difluoroethyl and difluorovinyl compounds with a chlorodifluoroethyl iodonium salt (CDFI)". supporting information. . Retrieved 2021/10/01.
• 2、 Sun, Xin,Zhao, Wei,Li, Bi-Jie. "Iridium-catalyzed, ligand-controlled directed alkynylation and alkenylation of arenes with terminal alkynes". supporting information. p. 1298 - 1301. Retrieved 2020/02/04.