N-tert-Butyl-3-chlorobenzamide

Base Information

• Chemical Name: N-tert-Butyl-3-chlorobenzamide
• CAS No.: 35306-56-0
• Molecular Formula: C11H14ClNO
• Molecular Weight: 211.691
• DSSTox Substance ID: DTXSID80343063
• Nikkaji Number: J144.456E
• Wikidata: Q82114211
• Mol file: 35306-56-0.mol

Synonyms:N-tert-Butyl-3-chlorobenzamide;35306-56-0;N-(tert-butyl)-3-chlorobenzamide;Benzamide, 3-chloro-N-(1,1-dimethylethyl)-;N-(t-butyl)-3-chlorobenzamide;SCHEMBL8396092;DTXSID80343063;MFCD00751502;AKOS003871168

Chemical Property of N-tert-Butyl-3-chlorobenzamide

Chemical Property:

• PSA: 32.59000
• LogP: 3.44310
• XLogP3: 2.9
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 211.0763918
• Heavy Atom Count: 14
• Complexity: 210

Purity/Quality:

99% ^*data from raw suppliers

N-TERT-BUTYL-3-CHLOROBENZAMIDE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

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

Technology Process of N-tert-Butyl-3-chlorobenzamide

There total 15 articles about N-tert-Butyl-3-chlorobenzamide 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: 90.0%

acetic acid tert-butyl ester (540-88-5) + 3-chloro-benzonitrile (766-84-7) → N-(tert-butyl)-3-chlorobenzamide (35306-56-0)

Guidance literature:

With silica gel supported zinc chloride; at 100 ℃; for 6h; chemoselective reaction; neat (no solvent);

DOI:10.1016/j.molcata.2011.01.013

Reference yield: 90.0%

C11H14ClNO → N-(tert-butyl)-3-chlorobenzamide (35306-56-0)

Guidance literature:

With trifluoroacetic acid; 9?mesityl-10-methylacridinium perchlorate; In N,N-dimethyl-formamide; at 20 ℃; for 24h; Inert atmosphere; Irradiation;

DOI:10.1039/d1cc03855a

Reference yield: 90.0%

tert-butylisonitrile (119072-55-8,7188-38-7) + 3-chlorobenzoate (535-80-8) → N-(tert-butyl)-3-chlorobenzamide (35306-56-0)

Guidance literature:

In methanol; at 20 ℃; for 24h;

DOI:10.1016/j.tetlet.2007.06.136

upstream raw materials:

tert-butylamine

3-chlorobenzoate

3-chloro-benzonitrile

tert-butyl alcohol

Downstream raw materials:

3-chlorobenzophenone

Refernces

• 1、 Park, Jin,Park, Sehoon,Jang, Gwang Seok,Kim, Ran Hui,Jung, Jaehoon,Woo, Sang Kook. "Weak base-promoted selective rearrangement of oxaziridines to amidesviavisible-light photoredox catalysis". supporting information. p. 9995 - 9998. Retrieved 2021/10/06.
• 2、 Sutar, Suraj M.,Savanur, Hemantkumar M.,Kalkhambkar, Rajesh G.,Borosky, Gabriela L.,Aridoss, Gopalakrishnan,Laali, Kenneth K.. "Ionic liquid catalyzed Ritter reaction/Pd-catalyzed directed Ortho-arylation; facile access to diverse libraries of biaryl-amides from Aryl-nitriles". supporting information. . Retrieved 2020/10/30.