N-Methylpentanamide

Base Information

• Chemical Name: N-Methylpentanamide
• CAS No.: 6225-10-1
• Molecular Formula: C6H13 N O
• Molecular Weight: 115.175
• Hs Code.: 2924199090
• DSSTox Substance ID: DTXSID60211312
• Nikkaji Number: J502.303C
• Wikidata: Q83086208
• Mol file: 6225-10-1.mol

Synonyms:N-Methylvaleramide;N-METHYLPENTANAMIDE;6225-10-1;N-methyl-valeramide;Pentanamide, N-methyl-;Pentanamide, N-methyl;SCHEMBL103028;DTXSID60211312;XKEKKGKDCHCOSA-UHFFFAOYSA-N;AKOS009126873;N-Methylvaleramide, (N-Methylpentanamide)

Chemical Property of N-Methylpentanamide

Chemical Property:

• Vapor Pressure: 0.136mmHg at 25°C
• Melting Point: -26°C
• Refractive Index: 1.4410
• Boiling Point: 116-118°C 8mm
• Flash Point: >100°C
• PSA: 29.10000
• Density: 0,9 g/cm3
• LogP: 1.31350
• XLogP3: 0.9
• 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%Min ^*data from raw suppliers

N-Methylvaleramide ^*data from reagent suppliers

Safty Information:

• Safety Statements: 24/25

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCC(=O)NC
• Uses: N-Methylvaleramide is used to study thermodynamics of carboxylic acids, amines and N-substituted amides in aqueous solution.

Technology Process of N-Methylpentanamide

There total 1 articles about N-Methylpentanamide 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:

n-hexan-2-one (591-78-6) → N-methylpentanamide (6225-10-1) + N-butylacetamide (1119-49-9)

Guidance literature:

With sodium azide; sulfuric acid; silica gel; at 60 ℃; for 0.333333h;

Reference yield: 79.0%

N-methylpentanamide (6225-10-1) + 1,3-Dimethoxybenzene (151-10-0) → 1-(2,4-dimethoxyphenyl)pentan-1-one (854659-33-9)

Guidance literature:

N-methylpentanamide; With 2-fluoropyridine; trifluoromethylsulfonic anhydride; In dichloromethane; at -78 - 0 ℃; for 0.166667h; Inert atmosphere;

1,3-Dimethoxybenzene; In dichloromethane; at 0 - 20 ℃; Inert atmosphere;

With hydrogenchloride; water; In ethanol; for 2h; chemoselective reaction; Inert atmosphere; Reflux;

DOI:10.1021/acs.joc.6b01647

Reference yield: 53.0%

N-methylpentanamide (6225-10-1) → N-methyl-N-nitrosovaleramide (16451-26-6)

Guidance literature:

With (25,26,27,28-tetra(n-hexyl)calix[4]arene)*NO⁺*NO₃^-*SnCl₄; In chloroform; at 20 ℃; for 5h;

DOI:10.1021/ol0342195

upstream raw materials:

n-hexan-2-one

Downstream raw materials:

N-methyl-N-nitrosovaleramide

6-ethyl-tetrahydro-2H-pyran-2-one

4-propylbutanolide

oenanthic acid

Refernces