N-Isopropylbenzamide

Base Information

• Chemical Name: N-Isopropylbenzamide
• CAS No.: 5440-69-7
• Molecular Formula: C10H13 N O
• Molecular Weight: 163.219
• Hs Code.: 2924299090
• NSC Number: 99273,20703,5955
• UNII: FC7L7O7QX8
• DSSTox Substance ID: DTXSID00202789
• Nikkaji Number: J54.860J
• Wikidata: Q72485767
• Mol file: 5440-69-7.mol

Synonyms:N-Isopropylbenzamide;5440-69-7;Benzamide, N-(1-methylethyl)-;Benzamide, N-isopropyl-;N-propan-2-ylbenzamide;N-Benzoylisopropylamine;NSC 5955;NSC 20703;NSC 99273;BRN 1307354;FC7L7O7QX8;Benzamide, N-(1-methylethyl)- (9CI);AI3-01518;NSC-5955;NSC-20703;NSC-99273;WLN: 1Y1&MVR;4-09-00-00729 (Beilstein Handbook Reference);Benzamide,N-(1-methylethyl)-;N-isopropyl benzamide;N-isopropyl-benzamide;UNII-FC7L7O7QX8;n-(1-methylethyl)benzamide;SCHEMBL155518;DTXSID00202789;NSC5955;AMY10525;NSC20703;NSC99273;AKOS003622912;LS-27076;FT-0741788;L10184;A870462;AP-782/40197370

Chemical Property of N-Isopropylbenzamide

Chemical Property:

• Vapor Pressure: 0.000323mmHg at 25°C
• Melting Point: 100-101℃
• Boiling Point: 320.2°Cat760mmHg
• Flash Point: 187.3°C
• PSA: 29.10000
• Density: 1g/cm³
• LogP: 2.21570
• Storage Temp.: 2-8°C
• XLogP3: 2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 163.099714038
• Heavy Atom Count: 12
• Complexity: 148

Purity/Quality:

98%min ^*data from raw suppliers

N-Isopropylbenzamide 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of N-Isopropylbenzamide

There total 166 articles about N-Isopropylbenzamide 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%

benzoyl chloride (98-88-4) + isopropylamine (75-31-0) → N-isopropylbenzamide (5440-69-7)

Guidance literature:

With triethylamine; In dichloromethane; at 0 - 20 ℃; for 14h; Inert atmosphere;

DOI:10.1055/s-0037-1610411

Reference yield: 98.0%

isopropylamine (75-31-0) + benzoic acid (65-85-0,8013-63-6) → N-isopropylbenzamide (5440-69-7)

Guidance literature:

With dmap; 2-chloro-1-(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,12-henicosafluorododecyl)pyridinium trifluoromethanesulfonate; triethylamine; In N,N-dimethyl-formamide; at 20 ℃; for 1h;

DOI:10.1016/j.tet.2012.03.034

Reference yield: 94.0%

trimethyl((3-methyl-2-phenylbut-2-yl)peroxy)silane (1237512-14-9) + benzamide (55-21-0,27208-38-4) → N-isopropylbenzamide (5440-69-7)

Guidance literature:

With copper(l) iodide; 1,10-Phenanthroline; In benzene; at 60 ℃; for 2h; Inert atmosphere;

DOI:10.1002/chem.201702217

upstream raw materials:

benzoyl chloride

isopropylamine

di-isopropyl ether

benzonitrile

Downstream raw materials:

Benzyl-isopropyl-amin

N-acetyl-N-isopropyl-2-phenylacetamide

2,4-dinitrophenolate

N-isopropyl-N-(trimethylsilanylethynyl)benzamide

Refernces

• 1、 Gudun, Kristina A.,Zakarina, Raikhan,Segizbayev, Medet,Hayrapetyan, Davit,Slamova, Ainur,Khalimon, Andrey Y.. "Cobalt-Catalyzed Deoxygenative Hydroboration of Nitro Compounds and Applications to One-Pot Synthesis of Aldimines and Amides". . p. 601 - 611. Retrieved 2021/11/30.
• 2、 Chattopadhyay, Buddhadeb,Hassan, Mirja Md Mahamudul,Hoque, Md Emdadul. "Remarkably Efficient Iridium Catalysts for Directed C(sp2)-H and C(sp3)-H Borylation of Diverse Classes of Substrates". supporting information. p. 5022 - 5037. Retrieved 2021/05/04.