n-Hexylformamide

Base Information

• Chemical Name: n-Hexylformamide
• CAS No.: 2591-78-8
• Molecular Formula: C7H15 N O
• Molecular Weight: 129.202
• NSC Number: 55752
• DSSTox Substance ID: DTXSID80288400
• Nikkaji Number: J149.376K
• Wikidata: Q82024787
• Mol file: 2591-78-8.mol

Synonyms:n-hexylformamide;2591-78-8;Formamide, N-hexyl;NSC 55752;NSC55752;SCHEMBL58363;DTXSID80288400;NSC-55752;AKOS006292044

Chemical Property of n-Hexylformamide

Chemical Property:

• Vapor Pressure: 0.0292mmHg at 25°C
• Boiling Point: 245.1°Cat760mmHg
• Flash Point: 135.7°C
• PSA: 29.10000
• Density: 0.86g/cm³
• LogP: 2.33950
• XLogP3: 1.9
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 5
• Exact Mass: 129.115364102
• Heavy Atom Count: 9
• Complexity: 63.9

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCCCNC=O

Technology Process of n-Hexylformamide

There total 8 articles about n-Hexylformamide 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: 59.2%

formic acid (64-18-6) + 1-nitrohexane (646-14-0) → hexan-1-amine (111-26-2) + N-hexylformamide (2591-78-8)

Guidance literature:

With cobalt nanoparticles anchoring on nitrogen doped carbon, pyrolysis at 700 °C; In acetonitrile; at 110 ℃; for 5h; under 750.075 Torr; chemoselective reaction; Inert atmosphere;

DOI:10.1016/j.catcom.2019.105747

Reference yield:

methanol (67-56-1) + hexan-1-amine (111-26-2) + carbon monoxide (201230-82-2) → Hexyl isocyanate (2525-62-4,26746-07-6) + N-hexylformamide (2591-78-8) + methyl hexylcarbamate (22139-32-8)

Guidance literature:

With oxygen; palladium dichloride; at 170 ℃; for 3h; under 45003.6 Torr; Title compound not separated from byproducts;

DOI:10.1006/jcat.2001.3350

Reference yield:

1-hexyl-3-methylimidazolium dicyanamide (927902-57-6) → N-methyl-N-formylformamide (18197-25-6) + N-Pentylformamide (2591-79-9) + carbon dioxide (124-38-9,18923-20-1) + N-hexylformamide (2591-78-8) + C10H16N2O3 + N-methyl-N-n-butylformamide (1117-72-2) + 1-butyl-3-methyl-2,4,5-trioxoimidazolidine (67867-39-4) + valeric acid (109-52-4)

Guidance literature:

With dihydrogen peroxide; sodium sulfate; pH=3; Kinetics; Electrochemical reaction;

DOI:10.1039/c5ra24070k

upstream raw materials:

1-hexene

formamide

methanol

hexan-1-amine

Downstream raw materials:

5-benzylselanyl-1-hexyl-1H-tetrazole

5-[(3,5-Dinitrobenzyl)selanyl]-1-hexyl-1H-tetrazole

4-methyl-N-hexylbenzamide

n-hexyl isocyanide

Refernces

• 1、 Zhang, Yuecheng,Cao, Pengwei,Zhang, Hong-Yu,Yin, Guohui,Zhao, Jiquan. "Cobalt nanoparticles anchoring on nitrogen doped carbon with excellent performances for transfer hydrogenation of nitrocompounds to primary amines and N-substituted formamides with formic acid". . . Retrieved 2019/07/08.
• 2、 Bocos, Elvira,Pazos, Marta,Sanromán, M. ángeles. "Electro-Fenton treatment of imidazolium-based ionic liquids: Kinetics and degradation pathways". . p. 1958 - 1965. Retrieved 2016/01/20.