4-bromo-N-tert-butylbenzamide

Base Information

• Chemical Name: 4-bromo-N-tert-butylbenzamide
• CAS No.: 42498-38-4
• Molecular Formula: C11H14 Br N O
• Molecular Weight: 256.142
• Hs Code.: 2924299090
• DSSTox Substance ID: DTXSID30345274
• Nikkaji Number: J144.453K
• Wikidata: Q82117641
• Mol file: 42498-38-4.mol

Synonyms:42498-38-4;4-bromo-N-tert-butylbenzamide;N-t-Butyl 4-bromobenzamide;4-Bromo-N-(1,1-dimethylethyl)benzamide;4-Bromo-N-(tert-butyl)benzamide;Benzamide, 4-bromo-N-(1,1-dimethylethyl)-;N-tert-butyl 4-bromobenzamide;N-tert-Butyl-4-bromobenzamide;N-t-butyl-4-bromobenzamide;N-tert-butyl-p-bromobenzamide;SCHEMBL691761;4-bromo-N-tert-butyl-benzamide;DTXSID30345274;4-bromanyl-N-tert-butyl-benzamide;4-Bromo-N-(tert-butyl)benzamide #;MFCD00462539;STK411046;AKOS000192035;p-tert-butylaminocarbonylphenyl bromide;p-(tert-butylaminocarbonyl)-bromobenzene;AM803890;AS-63731;CS-0038175;FT-0639793;A825917;4-bromo-N-(1,1-dimethylethyl)benzamide, AldrichCPR

Chemical Property of 4-bromo-N-tert-butylbenzamide

Chemical Property:

• Vapor Pressure: 4.38E-05mmHg at 25°C
• Melting Point: 134.98 °C
• Refractive Index: 1.54
• Boiling Point: 350.5°Cat760mmHg
• PKA: 14.62±0.46(Predicted)
• Flash Point: 165.8°C
• PSA: 29.10000
• Density: 1.309g/cm³
• LogP: 3.36830
• XLogP3: 2.9
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 255.02588
• Heavy Atom Count: 14
• Complexity: 202

Purity/Quality:

98%min ^*data from raw suppliers

N-t-Butyl4-bromobenzamide ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xi
• Statements: 52

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 4-bromo-N-tert-butylbenzamide

There total 21 articles about 4-bromo-N-tert-butylbenzamide 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: 96.0%

acetic acid tert-butyl ester (540-88-5) + 4-bromo-benzaldehyde (1122-91-4) → N-(tert-butyl)-4-bromobenzamide (42498-38-4)

Guidance literature:

4-bromo-benzaldehyde; With sodium azide; trifluorormethanesulfonic acid; acetic acid; at 40 ℃; for 2h;

acetic acid tert-butyl ester; With trifluorormethanesulfonic acid; at 40 ℃;

DOI:10.1016/j.tetlet.2016.08.069

Reference yield: 95.0%

acetic acid tert-butyl ester (540-88-5) + 4-bromobenzenecarbonitrile (623-00-7) → N-(tert-butyl)-4-bromobenzamide (42498-38-4)

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: 95.0%

4-chlorobenzoyl chloride (586-75-4) → N-(tert-butyl)-4-bromobenzamide (42498-38-4)

Guidance literature:

upstream raw materials:

tert-butylamine

4-chlorobenzoyl chloride

4-Bromobenzoic acid

acetic acid tert-butyl ester

Downstream raw materials:

4-(benzofuran-3-yl)-N-(tert-butyl)benzamide

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". . 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.