N-Butylacetamide

Base Information

• Chemical Name: N-Butylacetamide
• CAS No.: 1119-49-9
• Molecular Formula: C6H13 N O
• Molecular Weight: 115.175
• Hs Code.: 2924199090
• European Community (EC) Number: 214-280-9
• NSC Number: 27204
• UNII: 45F5O38HJS
• DSSTox Substance ID: DTXSID2061511
• Nikkaji Number: J43.278D
• Wikidata: Q63408595
• Mol file: 1119-49-9.mol

Synonyms:N-Butylacetamide;ACETAMIDE, N-BUTYL-;1119-49-9;N-butyl-acetamide;EINECS 214-280-9;45F5O38HJS;NSC 27204;NSC-27204;AI3-02183;n-butylacetamid;n-n-butylacetamide;NSC27204;UNII-45F5O38HJS;SCHEMBL48873;N-butylacetamide, AldrichCPR;N-(3-Methylbutyl)-Acetamide;DTXSID2061511;AKOS003856742;FT-0719446;10.14272/GYLDXXLJMRTVSS-UHFFFAOYSA-N.1;doi:10.14272/GYLDXXLJMRTVSS-UHFFFAOYSA-N.1;Q63408595

Chemical Property of N-Butylacetamide

Chemical Property:

• Vapor Pressure: 0.0712mmHg at 25°C
• Melting Point: 112-114 °C
• Refractive Index: 1.439-1.441
• Boiling Point: 229°Cat760mmHg
• PKA: 16.61±0.46(Predicted)
• Flash Point: 114.5°C
• PSA: 29.10000
• Density: 0.862g/cm³
• LogP: 1.31350
• XLogP3: 1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 3
• Exact Mass: 115.099714038
• Heavy Atom Count: 8
• Complexity: 70.9

Purity/Quality:

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

N-BUTYLACETAMIDE 98.00% ^*data from reagent suppliers

Safty Information:

• Statements: 53
• Safety Statements: 24/25

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCNC(=O)C

Technology Process of N-Butylacetamide

There total 101 articles about N-Butylacetamide 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: 76.0%

propylamine (107-10-8,42939-71-9) + N-butylamine (109-73-9,85404-21-3) + acetyl chloride (75-36-5) → n-propylacetamide (5331-48-6) + N-butylacetamide (1119-49-9)

Guidance literature:

N-butylamine; acetyl chloride; With sodium hydroxide; In water; at 0 ℃; Flow reactor;

propylamine; In water; Time; Flow reactor;

Reference yield: 60.0%

p-nitrophenyl-O-(methylsulfonyl)hydroxylamine (117911-66-7) → N-butylacetamide (1119-49-9) + 4-nitro-aniline (100-01-6,104810-17-5) + bis(4-nitrophenyl)diazene (3646-57-9,89103-79-7)

Guidance literature:

With N-butylamine; In neat (no solvent); at -30 ℃;

DOI:10.1016/S0040-4039(00)82042-0

Reference yield:

p-nitrophenyl-O-(methylsulfonyl)hydroxylamine (117911-66-7) + N-butylamine (109-73-9,85404-21-3) → N-butylacetamide (1119-49-9) + 4-nitro-aniline (100-01-6,104810-17-5) + bis(4-nitrophenyl)diazene (3646-57-9,89103-79-7)

Guidance literature:

In neat (no solvent); Mechanism; Product distribution; temperature effect on product distribution investigated;

DOI:10.1016/S0040-4039(00)82042-0

upstream raw materials:

acetamide

1-bromo-butane

n-butylamine hydrochloride

acetic anhydride

Downstream raw materials:

N,N-dibutylacetamide

N-butyl-N-nitroso-acetamide

N-butylamine

1-Benzylamino-5-methyl-2,4,6,8-tetraoxo-3,7-dioxa-2λ⁵,4λ⁵,6λ⁵,8λ⁵-tetraphospha-bicyclo[3.3.1]nonane-2,4,6,8-tetraol