Valeranilide

Base Information

• Chemical Name: Valeranilide
• CAS No.: 10264-18-3
• Molecular Formula: C11H15 N O
• Molecular Weight: 177.246
• Hs Code.: 2924299090
• European Community (EC) Number: 233-603-4
• DSSTox Substance ID: DTXSID50145430
• Nikkaji Number: J49.545J
• Wikidata: Q83009981
• Mol file: 10264-18-3.mol

Synonyms:Valeranilide;N-Phenylpentanamide;10264-18-3;Pentanamide, N-phenyl-;BRN 2360885;EINECS 233-603-4;4-12-00-00390 (Beilstein Handbook Reference);2-n-propylacetanilide;2-propylacetanilide;N-Phenylpentanamide #;N-phenyl-pentanoic acid amide;SCHEMBL2183716;DTXSID50145430;AKOS002953968;LS-161006;EN300-8090736

Chemical Property of Valeranilide

Chemical Property:

• Vapor Pressure: 9.98E-05mmHg at 25°C
• Boiling Point: 338.2°C at 760 mmHg
• Flash Point: 200.2°C
• PSA: 32.59000
• Density: 1.03g/cm³
• LogP: 3.46480
• XLogP3: 2.6
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 4
• Exact Mass: 177.115364102
• Heavy Atom Count: 13
• Complexity: 150

Purity/Quality:

98%,99%, ^*data from raw suppliers

N-PHENYLPENTANAMIDE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCC(=O)NC1=CC=CC=C1

Technology Process of Valeranilide

There total 85 articles about Valeranilide 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: 99.0%

pentan-1-ol (71-41-0) + aniline (62-53-3) → N-phenylpentanamide (10264-18-3)

Guidance literature:

With oxygen; sodium hydroxide; In water; at 40 ℃; for 24h; Green chemistry;

DOI:10.1039/c3gc41117f

Reference yield: 99.0%

n-valeryl chloride (638-29-9) + aniline (62-53-3) → N-phenylpentanamide (10264-18-3)

Guidance literature:

With triethylamine; In dichloromethane; at 20 ℃; for 2h; Cooling with ice;

Reference yield: 87.0%

C5H9OS(1-)*K(1+) + aniline (62-53-3) → N-phenylpentanamide (10264-18-3)

Guidance literature:

With tris(2,2'-bipyridyl)ruthenium dichloride; In acetonitrile; at 20 ℃; Irradiation;

DOI:10.1021/acscatal.5b02943

upstream raw materials:

n-butyl magnesium bromide

phenyl isocyanate

diethyl ether

Dibutyl-beryllium

Downstream raw materials:

N-valeryl-sulfanilyl chloride

N-phenyl pentanethioamide

N-valeryl-sulfanilic acid amide

N-pentylaniline

Refernces

• 1、 Xiang, Shi-Kai,Zhang, Dong-Xue,Hu, Hao,Shi, Jiang-Ling,Liao, Li-Guo,Feng, Chun,Wang, Bi-Qin,Zhao, Ke-Qing,Hu, Ping,Yang, Hua,Yu, Wen-Hao. "Synthesis of N-arylamides by copper-catalyzed amination of aryl halides with nitriles". . p. 1495 - 1499. Retrieved 2013.
• 2、 Wang, Wentao,Cong, Yu,Zhang, Leilei,Huang, Yanqiang,Wang, Xiaodong,Zhang, Tao. "Aerobic oxidative transformation of primary alcohols and amines to amides promoted by a hydroxyapatite-supported gold catalyst in water". . p. 124 - 127. Retrieved 2014.
• 3、 Zhang, Dong-Xue,Xiang, Shi-Kai,Hu, Hao,Tan, Wen,Feng, Chun,Wang, Bi-Qin,Zhao, Ke-Qing,Hu, Ping,Yang, Hua. "An improved protocol for synthesis of N-arylamides and benzoxazoles by the copper-catalyzed reaction of aryl halides with nitriles". . p. 10022 - 10029. Retrieved 2013.
• 4、 Carlin,Smith. "-". . p. 2007. Retrieved 1947.
• 5、 Matthews,Michell. "-". . p. 662. Retrieved 1946.
• 6、 Jiang, Heyan,Hu, Zujie,Gan, Chuan,Sun, Bin,Kong, Shuzhen,Bian, Fengxia. "Visible-light induced one-pot hydrogenation and amidation of nitroaromatics with carboxylic acids over 2D MXene-derived Pt/N-TiO2/Ti3C2". . . Retrieved 2021/03/03.
• 7、 Cooper, Phillippa,Engle, Keary M.,Jankins, Tanner C.,Martin, Ruben,Martin-Montero, Raul. "Low-Valent Tungsten Catalysis Enables Site-Selective Isomerization-Hydroboration of Unactivated Alkenes". . p. 14981 - 14986. Retrieved 2021/09/29.