Benzamide, N-isobutyl-

Base Information

• Chemical Name: Benzamide, N-isobutyl-
• CAS No.: 5705-57-7
• Molecular Formula: C11H15NO
• Molecular Weight: 177.246
• Hs Code.: 2924299090
• NSC Number: 20564
• DSSTox Substance ID: DTXSID60205670
• Nikkaji Number: J472.743F
• Wikidata: Q83079290
• Mol file: 5705-57-7.mol

Synonyms:N-Isobutylbenzamide;Benzamide, N-isobutyl-;N-(2-methylpropyl)benzamide;5705-57-7;Benzamide, N-(2-methylpropyl)-;BRN 2045960;AI3-01043;4-09-00-00730 (Beilstein Handbook Reference);NSC20564;TimTec1_000754;SCHEMBL255251;DTXSID60205670;HMS1536C06;NSC 20564;NSC-20564;AKOS003864195;NCGC00175155-01;LS-27063;SR-03000003263;SR-03000003263-1

Chemical Property of Benzamide, N-isobutyl-

Chemical Property:

• Vapor Pressure: 0.000141mmHg at 25°C
• Boiling Point: 333°C at 760 mmHg
• Flash Point: 196.9°C
• PSA: 29.10000
• Density: 0.986g/cm³
• LogP: 2.46330
• XLogP3: 2.3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 3
• Exact Mass: 177.115364102
• Heavy Atom Count: 13
• Complexity: 160

Purity/Quality:

99% ^*data from raw suppliers

N-ISOBUTYL-BENZAMIDE AldrichCPR ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of Benzamide, N-isobutyl-

There total 68 articles about Benzamide, N-isobutyl- 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: 98.0%

2,2-dimethylaziridin-1-yl-phenylmethanone (21384-58-7) → N-isobutyl-benzamide (5705-57-7)

Guidance literature:

With 2,2'-azobis(isobutyronitrile); tri-n-butyl-tin hydride; In benzene; for 2h; Heating;

DOI:10.1016/S0040-4020(01)81081-4

Reference yield: 96.0%

N-(1-Benzotriazol-1-yl-2-methyl-propyl)-benzamide (117067-46-6) → 1,2,3-Benzotriazole (95-14-7,27556-51-0) + N-isobutyl-benzamide (5705-57-7)

Guidance literature:

With sodium tetrahydroborate; In ethanol; for 3h; Heating;

Reference yield: 86.0%

isobutylamine (78-81-9) + benzyl alcohol (100-51-6,185532-71-2) → N-isobutyl-benzamide (5705-57-7)

Guidance literature:

With manganese(IV) oxide; sodium cyanide; In tetrahydrofuran; at 20 ℃; for 24h;

DOI:10.1055/s-2002-32951 DOI:10.1055/s-2003-39163

upstream raw materials:

isobutylamine

benzoyl chloride

6-thiophen-2-yl-hexa-2,4-dienoic acid isobutylamide

2,2-dimethylaziridin-1-yl-phenylmethanone

Downstream raw materials:

(Me2Al[μ,η2-i-BuNC(O)Ph])2

N-isobutylthiobenzamide

N,N'-diisobutyl-1,2-diphenyl-1,2-ethanediamine

N,N'-diisobutyl-1,2-diphenyl-1,2-ethanediamine

Refernces

• 1、 Nikitas, Nikolaos F.,Apostolopoulou, Mary K.,Skolia, Elpida,Tsoukaki, Anna,Kokotos, Christoforos G.. "Photochemical Activation of Aromatic Aldehydes: Synthesis of Amides, Hydroxamic Acids and Esters". supporting information. p. 7915 - 7922. Retrieved 2021/05/03.
• 2、 Xu, Zhihui,Yang, Tianbao,Tang, Niu,Ou, Yifeng,Yin, Shuang-Feng,Kambe, Nobuaki,Qiu, Renhua. "UV-Light-Induced N-Acylation of Amines with α-Diketones". supporting information. p. 5329 - 5333. Retrieved 2021/07/21.