Propanamide, N-hexyl-

Base Information

• Chemical Name: Propanamide, N-hexyl-
• CAS No.: 10264-24-1
• Molecular Formula: C9H19NO
• Molecular Weight: 157.256
• Hs Code.: 2924199090
• DSSTox Substance ID: DTXSID20333721
• Nikkaji Number: J129.263C
• Wikidata: Q82099209
• Mol file: 10264-24-1.mol

Synonyms:n-Hexylpropanamide;Propanamide, N-hexyl-;N-Hexylpropionamide;10264-24-1;Propionamide, N-hexyl-;n-hexyl-propionamide;n-Hexylpropanamide #;SCHEMBL1901704;DTXSID20333721;AKOS003846473

Chemical Property of Propanamide, N-hexyl-

Chemical Property:

• Boiling Point: 122-123.5 °C(Press: 7-8 Torr)
• PKA: 16.66±0.46(Predicted)
• PSA: 32.59000
• Density: 0.859±0.06 g/cm3(Predicted)
• LogP: 2.93320
• XLogP3: 2.3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 6
• Exact Mass: 157.146664230
• Heavy Atom Count: 11
• Complexity: 102

Purity/Quality:

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

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCCCNC(=O)CC

Technology Process of Propanamide, N-hexyl-

There total 4 articles about Propanamide, N-hexyl- 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: 81.0%

hexan-1-amine (111-26-2) + 3-benzyloxypropan-1-ol (4799-68-2) → N-hexylbenzamide (4773-75-5) + N-hexylpropionamide (10264-24-1)

Guidance literature:

With dichloro(benzene)ruthenium(II) dimer; N,N-diisopropylimidazolium bromide; sodium hydride; In toluene; acetonitrile; for 24h; Inert atmosphere; Reflux;

DOI:10.1021/ol3009842

Reference yield:

1-penten (109-67-1) + carbon monoxide (201230-82-2) + Propionamid (79-05-0) → 3-phenyl-propionaldehyde (104-53-0) + N-hexylpropionamide (10264-24-1)

Guidance literature:

With dicarbonylacetylacetonato rhodium (I); hydrogen; toluene-4-sulfonic acid; 4,5-bis(diphenylphosphino)-9,9-dimethylxanthene; In diethylene glycol dimethyl ether; at 100 ℃; for 8h; under 37503.8 Torr; chemoselective reaction; Inert atmosphere; Schlenk technique;

DOI:10.1002/cssc.201300484

Reference yield:

hexanal (66-25-1) + Propionamid (79-05-0) → 2-butyl-oct-2-en-1-al (64935-38-2,99915-14-7,13019-16-4) + C12H24N2O2 + C15H29NO + C18H34N2O2 + N-hexylpropionamide (10264-24-1) + hexan-1-ol (111-27-3)

Guidance literature:

With chloro(1,5-cyclooctadiene)rhodium(I) dimer; hydrogen; toluene-4-sulfonic acid; 4,5-bis(diphenylphosphino)-9,9-dimethylxanthene; In diethylene glycol dimethyl ether; at 80 ℃; for 10h; under 60006 Torr; Time; Autoclave; Schlenk technique; Inert atmosphere;

DOI:10.1002/adsc.201200837

upstream raw materials:

hexan-1-amine

3-benzyloxypropan-1-ol

hexanal

Propionamid

Downstream raw materials:

N-ethyl-methylhexanamine