N-(2-Methylpropyl)acetamide

Base Information

• Chemical Name: N-(2-Methylpropyl)acetamide
• CAS No.: 1540-94-9
• Molecular Formula: C6H13 N O
• Molecular Weight: 115.175
• Hs Code.: 2924199090
• NSC Number: 156655
• UNII: 03RBP530AC
• DSSTox Substance ID: DTXSID90165516
• Nikkaji Number: J47.018J
• Wikidata: Q27247578
• Metabolomics Workbench ID: 46419
• Mol file: 1540-94-9.mol

Synonyms:N-(2-Methylpropyl)acetamide;N-Isobutylacetamide;1540-94-9;N-(2-Methyl-2-propyl)ethanamide;Acetamide, N-isobutyl-;Acetamide, N-(2-methylpropyl)-;N-Acetyl-2-methyl-1-propaneamine;N-Isobutyl-Acetamide;UNII-03RBP530AC;03RBP530AC;NSC-156655;Acetylisobutylamine;NSC156655;SCHEMBL91326;N-(2-Methylpropyl)-Acetamide;N-(2-Methyl-propyl)ethanamide;DTXSID90165516;CHEBI:179639;N-(2-Methylpropyl)acetamide, 9CI;AKOS003855864;NSC 156655;Q27247578

Chemical Property of N-(2-Methylpropyl)acetamide

Chemical Property:

• Vapor Pressure: 0.226mmHg at 25°C
• Boiling Point: 207.3°Cat760mmHg
• Flash Point: 107.8°C
• PSA: 29.10000
• Density: 0.86g/cm³
• LogP: 1.16940
• XLogP3: 0.9
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 115.099714038
• Heavy Atom Count: 8
• Complexity: 78.6

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)CNC(=O)C

Technology Process of N-(2-Methylpropyl)acetamide

There total 15 articles about N-(2-Methylpropyl)acetamide 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: 90.0%

tris(1,10-phenanthroline)iron(III) tris(hexafluorophosphate) + isobutyl-trimethyl stannane (1118-10-1) + acetonitrile (75-05-8,26809-02-9) → {(CH3)3Sn(NH3)2}(1+)*PF6(1-)={(CH3)3Sn(NH3)2}PF6 + N-tert-butylacetamide (762-84-5) + (Fe(N2C12H8)2(N2C12H7CH2CH(CH3)2))(2+)*2PF6(1-)=(Fe(N2C12H8)2(N2C12H7CH2CH(CH3)2))(PF6)2 + N-(2-butyl)ethanamide (1189-05-5) + N-isobutylacetamide (1540-94-9)

Guidance literature:

With ammonia; In acetonitrile; byproducts: trans-2-butene, cis-2-butene; i-BuSnMe3 in CH3CN added to Fe(phen)3(PF6)3 in CH3CN at 22°C under Ar and soln. stirred for 2 h, drop water added and Fe(II) complex filtered, filtrate dried with MgSO4 and treated anhyd. NH3 and Sn product filtered;

DOI:10.1021/ja00369a030

Reference yield: 74.0%

4-methyl-2-pentanone (108-10-1) → 4-methyl-pentan-2-one oxime (105-44-2) + N-isobutylacetamide (1540-94-9)

Guidance literature:

With acetylhydroxamic acid; sulfuric acid; In acetonitrile; for 11.5h; Reflux;

DOI:10.1016/j.tetlet.2011.09.019

Reference yield: 68.0%

acetic anhydride (108-24-7) + Isobutyl-[1-(2-nitro-phenyl)-meth-(E)-ylidene]-amine (27895-79-0) + 2-acetonyl-2-oxo-1,3,2-dioxaphosphorinane (115579-08-3) → N-isobutylacetamide (1540-94-9) + 1-<1-(2-nitrobenzylidene)acetonyl>-2-oxo-1,3,2-dioxaphosphorinane (115550-22-6)

Guidance literature:

In benzene; for 4h; Heating;

DOI:10.1248/cpb.36.1139

upstream raw materials:

Isobutyl bromide

acetonitrile

acetic anhydride

Isobutyl-[1-(2-nitro-phenyl)-meth-(E)-ylidene]-amine

Downstream raw materials:

N-isobutyl-N-nitroso-acetamide

N-acetyl-2-methylpropanamide

isobutyric Acid

N-isobutyl-N-(isopropoxymethyl)acetamide