N,N-di(propan-2-yl)butanamide

Base Information

• Chemical Name: N,N-di(propan-2-yl)butanamide
• CAS No.: 38161-09-0
• Molecular Formula: C10H21NO
• Molecular Weight: 171.2798
• NSC Number: 404416
• UNII: ZUH5HMK4HN
• DSSTox Substance ID: DTXSID50331270
• Wikidata: Q82096319
• Mol file: 38161-09-0.mol

Synonyms:NSC-404416;38161-09-0;N,N-di(propan-2-yl)butanamide;NSC404416;Butanamide, N,N-bis(1-methylethyl)-;ZUH5HMK4HN;N,N-Diisopropylbutyramide;Butyramide,N-diisopropyl-;n,n-diisopropyl-n-butyramide;SCHEMBL2035630;N,N-DIISOPROPYLBUTANAMIDE;DTXSID50331270;N,N-Bis(1-methylethyl)butanamide;Butanamide,N-bis(1-methylethyl)-;AKOS003861300

Chemical Property of N,N-di(propan-2-yl)butanamide

Chemical Property:

• Vapor Pressure: 0.109mmHg at 25°C
• Boiling Point: 221.1°C at 760 mmHg
• Flash Point: 79.8°C
• Density: 0.861g/cm³
• XLogP3: 2.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 4
• Exact Mass: 171.162314293
• Heavy Atom Count: 12
• Complexity: 133

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCC(=O)N(C(C)C)C(C)C

Technology Process of N,N-di(propan-2-yl)butanamide

There total 6 articles about N,N-di(propan-2-yl)butanamide 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: 55.0%

diisopropylamine (108-18-9) + butyric acid (107-92-6) → N,N-diisopropylbutyramide (38161-09-0)

Guidance literature:

With dmap; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; In dichloromethane; at 20 ℃; for 12h;

DOI:10.1002/anie.202013568

Reference yield: 53.0%

diisopropylamine (108-18-9) + butyryl chloride (141-75-3) → N,N-diisopropylbutyramide (38161-09-0)

Guidance literature:

With triethylamine; In dichloromethane; at 0 - 20 ℃;

DOI:10.1021/jacs.6b04061

Reference yield:

butyraldehyde oxime (110-69-0) + diisopropylamine (108-18-9) → N,N-diisopropylbutyramide (38161-09-0)

Guidance literature:

With nickel(II) chloride hexahydrate; In para-xylene; at 155 ℃; for 18h; Inert atmosphere;

DOI:10.1021/ol101978h

upstream raw materials:

butanoic acid anhydride

diisopropylamine

butyryl chloride

p-nitrophenyl butyrate