N-Isopropylisobutyramide

Base Information

• Chemical Name: N-Isopropylisobutyramide
• CAS No.: 869-07-8
• Molecular Formula: C7H15 N O
• Molecular Weight: 129.202
• Hs Code.: 2924199090
• NSC Number: 25164
• DSSTox Substance ID: DTXSID40282247
• Nikkaji Number: J959.870G
• Mol file: 869-07-8.mol

Synonyms:N-Isopropylisobutyramide;869-07-8;N-Isopropyl-2-methylpropanamide;2-methyl-N-propan-2-ylpropanamide;Propanamide, 2-methyl-N-(1-methylethyl)-;N1-isopropyl-2-methylpropanamide;NSC25164;Isobutylamide, N-isopropyl-;SCHEMBL142029;DTXSID40282247;Propanamide, N-isopropyl-2-methyl;AMY10581;NSC-25164;AKOS003846206;CS-0119885;FT-0770390;L10185;Furo[3,4-d]-1,3-dioxol-4(3aH)-one, dihydro-2,2-dimethyl-, (3aR,6aR)-

Chemical Property of N-Isopropylisobutyramide

Chemical Property:

• Vapor Pressure: 0.211mmHg at 25°C
• Melting Point: 103 °C
• Boiling Point: 208.7°Cat760mmHg
• Flash Point: 110.5°C
• PSA: 29.10000
• Density: 0.856g/cm³
• LogP: 1.55790
• XLogP3: 1.4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 129.115364102
• Heavy Atom Count: 9
• Complexity: 97.1

Purity/Quality:

99%, ^*data from raw suppliers

N-Isopropyl-2-methylpropanamide 97% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)C(=O)NC(C)C

Technology Process of N-Isopropylisobutyramide

There total 5 articles about N-Isopropylisobutyramide 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: 68.0%

diisopropyl ketone oxime (1113-74-2) → N-isopropylisobutyramide (869-07-8) + 2,4-dimethylpentan-3-one (565-80-0)

Guidance literature:

With dimethylbromosulphonium bromide; at 80 ℃; for 2.5h; Ionic liquid;

DOI:10.1016/j.tetlet.2009.11.128

Reference yield: 24.0%

potassium tert-butylate (865-47-4) + N-(3-Chloro-2-butylidene)isopropylamine (81171-27-9) → N-isopropylisobutyramide (869-07-8) + 4-t-butoxy-2-butanone (51930-93-9)

Guidance literature:

In tert-butyl alcohol; for 2h; Heating;

DOI:10.1021/jo00370a018

Reference yield: 0.7%

Dimethyl (2-methyl-1-oxopropyl)phosphonate (6918-58-7) → N-isopropylformamide (16741-46-1) + N-isopropylisobutyramide (869-07-8) + [1-(Dimethoxy-phosphoryloxy)-2-methyl-propyl]-phosphonic acid dimethyl ester

Guidance literature:

With tris-(2-chloro-ethyl)-amine; sulfuric acid; In chloroform; at 0 ℃; for 0.0833333h;

DOI:10.1021/ja00082a024

upstream raw materials:

Dimethyl (2-methyl-1-oxopropyl)phosphonate

potassium tert-butylate

N-(3-Chloro-2-butylidene)isopropylamine

tert-butyl alcohol

Downstream raw materials:

N-isopropyl-2-methylpropan-1-amine

Refernces

• 1、 Sprecher, Milon,Kost, Daniel. "The Schmidt reaction of dialkyl acylphosphonates". . p. 1016 - 1026. Retrieved 2007/10/02.
• 2、 De Kimpe, Norbert,Verhe, Roland,De Buyck, Laurent,Moens, Luc,Schamp, Niceas. "FAVORSKII-TYPE REARRANGEMENT OF α-CHLORO KETIMINES". . p. 1837 - 1840. Retrieved 2007/10/02.