Isovaleranilide

Base Information

• Chemical Name: Isovaleranilide
• CAS No.: 2364-50-3
• Molecular Formula: C11H15 N O
• Molecular Weight: 177.246
• Mol file: 2364-50-3.mol

Synonyms:Isovaleranilide(6CI,7CI,8CI); 3-Methyl-N-phenylbutanamide; Isovaleric acid anilide;N-Phenylisovaleramide; NSC 10040

Chemical Property of Isovaleranilide

Chemical Property:

• Melting Point: 112-113℃
• Boiling Point: 330.8°Cat760mmHg
• Flash Point: 195.5°C
• PSA: 29.10000
• Density: 1.027g/cm³
• LogP: 2.74420

Purity/Quality:

98%min ^*data from raw suppliers

3-METHYL-N-PHENYLBUTANAMIDE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

Technology Process of Isovaleranilide

There total 30 articles about Isovaleranilide 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: 89.0%

isovalerophenone-imine (51110-20-4) → isovaleranilide (2364-50-3)

Guidance literature:

isovalerophenone-imine; With bis-[(trifluoroacetoxy)iodo]benzene; In acetonitrile; at 20 ℃; for 0.0833333h;

With triethylamine; In acetonitrile; at 20 ℃;

DOI:10.1021/acs.joc.7b01468

Reference yield: 78.0%

3-methyl-thiobutyric acid (60681-87-0) + aniline (62-53-3) → isovaleranilide (2364-50-3)

Guidance literature:

With 10-methyl-9-(2,4,6-trimethylphenyl) acridinium tetrafluoroborate; In acetonitrile; at 20 ℃; for 5h; Irradiation;

DOI:10.1021/acs.orglett.9b03905

Reference yield: 76.0%

Isovaleric anhydride (1468-39-9) + aniline (62-53-3) → isovaleranilide (2364-50-3)

Guidance literature:

In dichloromethane; at 20 ℃; for 6h; Inert atmosphere;

DOI:10.1021/ja203495c

upstream raw materials:

3-methylbutyric acid

N,N'-diphenylsulfamide

2-methylpropylmagnesium chloride

phenyl isocyanate

Downstream raw materials:

(+/-)-1,2-dihydro-2-methyl-2,4-diphenylquinoline

4-phenyl-cinnoline

2-(1-phenylvinyl)aniline

5-methyl-3-hexanone

Refernces

• 1、 Hong, Wan Pyo,Tran, Van Hieu,Kim, Hee-Kwon. "Practical one-pot amidation of N -Alloc-, N -Boc-, and N -Cbz protected amines under mild conditions". . p. 15890 - 15895. Retrieved 2021/05/19.
• 2、 Song, Wangze,Dong, Kun,Li, Ming. "Visible Light-Induced Amide Bond Formation". supporting information. p. 371 - 375. Retrieved 2019/11/29.