4-amino-N-(tert-butyl)benzamide

Base Information

• Chemical Name: 4-amino-N-(tert-butyl)benzamide
• CAS No.: 93483-71-7
• Molecular Formula: C11H16N2O
• Molecular Weight: 192.261
• Hs Code.: 2924299090
• European Community (EC) Number: 804-486-2
• DSSTox Substance ID: DTXSID90399612
• Nikkaji Number: J3.617.546J
• Wikidata: Q82202261
• Mol file: 93483-71-7.mol

Synonyms:4-amino-N-(tert-butyl)benzamide;4-amino-N-tert-butylbenzamide;93483-71-7;N-tert-butyl-4-aminobenzamide;N-t-Butyl-4-aminobenzamide;SCHEMBL854187;DTXSID90399612;CHEBI:191028;IBSCJDKXUQIEPQ-UHFFFAOYSA-N;4-amino-n-(tert-butyl) benzamide;BBL002124;MFCD00461428;STK520560;AKOS000131855;VS-01022;BB 0290922;Benzamide, 4-amino-N-(1,1-dimethylethyl)-;CS-0244695;FT-0761165;4-Amino-N-(tert-butyl)benzamide, AldrichCPR;EN300-28909;J3.617.546J;Z235362715

Chemical Property of 4-amino-N-(tert-butyl)benzamide

Chemical Property:

• Boiling Point: 372.3±25.0 °C(Predicted)
• PKA: 15.83±0.46(Predicted)
• PSA: 55.12000
• Density: 1.058±0.06 g/cm3(Predicted)
• LogP: 2.76920
• XLogP3: 1.5
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 192.126263138
• Heavy Atom Count: 14
• Complexity: 200

Purity/Quality:

99.9% ^*data from raw suppliers

4-amino-N-tert-butylbenzamide ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

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

Technology Process of 4-amino-N-(tert-butyl)benzamide

There total 9 articles about 4-amino-N-(tert-butyl)benzamide 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%

N-tert-butyl-4-nitrobenzamide (42498-30-6) → 4-amino-N-tert-butyl-benzamide (93483-71-7)

Guidance literature:

With palladium 10% on activated carbon; hydrogen; In ethyl acetate; at 20 ℃; for 9h;

DOI:10.1021/jf304468b

Reference yield: 20.0%

acetic acid tert-butyl ester (540-88-5) + 4-Aminobenzonitrile (873-74-5) → 4-amino-N-tert-butyl-benzamide (93483-71-7)

Guidance literature:

With sulfuric acid; In acetic acid; at 20 ℃; for 2h; Inert atmosphere; Enzymatic reaction;

DOI:10.1021/jo8024797

Reference yield:

p-nitrobenzene iodide (636-98-6) + carbon monoxide (201230-82-2) + tert-butylamine (75-64-9) → N-tert-butyl-4-nitrobenzamide (42498-30-6) + 4-amino-N-tert-butyl-benzamide (93483-71-7) + 2-(4-aminophenyl)-N-tert-butyl-2-oxoacetamide

Guidance literature:

With palladium diacetate; triethylamine; triphenylphosphine; In N,N-dimethyl-formamide; at 50 ℃; for 4h; under 30003 Torr; Pressure; Time; Autoclave;

DOI:10.1016/j.tet.2016.10.004

upstream raw materials:

N-tert-butyl-4-nitrobenzamide

4-nitro-benzoyl chloride

benzoyl chloride

tert-butylamine

Downstream raw materials:

N-(4-(tert-butylcarbamoyl)phenylcarbamoyl)-2,6-difluorobenzamide

6-[4-(tert-Butylcarbamoyl)phenylazo]-pyridoxal-5-phosphate

4-[(4,6-dichloro-1,3,5-triazine-2-yl)amino]-N-(1,1-dimethylethyl)benzamide

2-(4-tert.-Butylcarbamoyl-phenylcarbamoyl)-2-(4-chlor-phenoxy)-propan

Refernces

• 1、 -. "Preparation method of N-tert-butyl-4-aminobenzamide". Paragraph 0021; 0022. . Retrieved 2019/10/17.
• 2、 Marosv?lgyi-Haskó, Diána,Kégl, Tamás,Kollár, László. "Substituent effects in aminocarbonylation of para-substituted iodobenzenes". supporting information. p. 7509 - 7516. Retrieved 2016/11/11.