N-tert-butyl-2-chlorobenzamide

Base Information

• Chemical Name: N-tert-butyl-2-chlorobenzamide
• CAS No.: 70657-65-7
• Molecular Formula: C11H14ClNO
• Molecular Weight: 211.691
• Hs Code.: 2924299090
• DSSTox Substance ID: DTXSID00405192
• Nikkaji Number: J3.124.494C
• Wikidata: Q82209622
• Mol file: 70657-65-7.mol

Synonyms:N-tert-butyl-2-chlorobenzamide;70657-65-7;N-(tert-Butyl)-2-chlorobenzamide;2-CHLORO-N-(1,1-DIMETHYLETHYL)-BENZAMIDE;Benzamide, 2-chloro-N-(1,1-dimethylethyl)-;SCHEMBL9963900;DTXSID00405192;BYWGSUJLXJLBLY-UHFFFAOYSA-N;CS-D1017;VCA65765;MFCD00751501;AKOS001605242;AM81201;SB77120;AS-42123;A866576;SR-01000414972;SR-01000414972-1

Chemical Property of N-tert-butyl-2-chlorobenzamide

Chemical Property:

• PSA: 32.59000
• LogP: 3.44310
• Storage Temp.: Room temperature.
• XLogP3: 1.9
• 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:

≥95% ^*data from raw suppliers

N-(tert-Butyl)-2-chlorobenzamide 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)(C)NC(=O)C1=CC=CC=C1Cl

Technology Process of N-tert-butyl-2-chlorobenzamide

There total 7 articles about N-tert-butyl-2-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%

2-Chlorobenzonitrile (873-32-5) + acetic acid tert-butyl ester (540-88-5) → N-(tert-butyl)-2-chlorobenzamide (70657-65-7)

Guidance literature:

With BF₃ immobilized on β-cyclodextrine functionalized silica coated CoFe₂O₄ magnetic nanoparticles; In neat (no solvent); at 20 ℃; for 0.833333h;

DOI:10.1016/j.poly.2019.114219

Reference yield: 90.0%

(E)-2-(tert-butyl)-3-(2-chlorophenyl)oxarizidine → N-(tert-butyl)-2-chlorobenzamide (70657-65-7)

Guidance literature:

With iron(III) sulfate pentahydrate; sodium dodecyl-sulfate; In water; at 20 - 70 ℃; for 0.666667h; Green chemistry;

DOI:10.1039/c6gc03589b

Reference yield: 90.0%

2-Chlorobenzonitrile (873-32-5) + tert-butyl alcohol (75-65-0) → N-(tert-butyl)-2-chlorobenzamide (70657-65-7)

Guidance literature:

With sulfated tungstate; at 100 ℃; for 3h; Neat (no solvent);

DOI:10.1039/c0gc00759e

upstream raw materials:

2-Chlorobenzonitrile

acetic acid tert-butyl ester

tert-butyl alcohol

tert-butylamine

Downstream raw materials:

8-chloro-2-(2-quinolin-2-yl-ethyl)-2H-phthalazin-1-one

8-chloro-2H-phthalazin-1-one

2-tert-butyl-7-chloro-3-hydroxy-2,3-dihydroisoindol-1-one

ortho-chlorobenzoic acid

Refernces

• 1、 Hamadi, Hosein,Zanjani, Zohreh,Yadollahi, Mahtab. "CoFe2O4?SiO2-NH-βCD-BF3 as a supramolecular nanocomposite: Synthesis, characterization and catalytic activity". . . Retrieved 2019/11/14.
• 2、 Kra?em, Jamil,Ollevier, Thierry. "Atom economical synthesis of: N -alkylbenzamides via the iron(III) sulfate catalyzed rearrangement of 2-alkyl-3-aryloxaziridines in water and in the presence of a surfactant". supporting information. p. 1263 - 1267. Retrieved 2017/08/15.