3-chloro-N-cyclohexylpropanamide

Base Information

• Chemical Name: 3-chloro-N-cyclohexylpropanamide
• CAS No.: 61872-76-2
• Molecular Formula: C9H16ClNO
• Molecular Weight: 189.68200
• Hs Code.: 2924299090
• DSSTox Substance ID: DTXSID90407842
• Wikidata: Q82213186
• Mol file: 61872-76-2.mol

Synonyms:3-chloro-N-cyclohexylpropanamide;61872-76-2;SCHEMBL9639138;DTXSID90407842;GPYXZWPPJXPZKP-UHFFFAOYSA-N;beta-chloro-N-cyclohexylpropionamide;MFCD02285967;AKOS000264591;UPCMLD0ENAT5908300:001;LS-05215;CS-0243025;FT-0684071;EN300-25813;Z57347280

Chemical Property of 3-chloro-N-cyclohexylpropanamide

Chemical Property:

• Vapor Pressure: 5.01E-05mmHg at 25°C
• Boiling Point: 348.5oC at 760 mmHg
• Flash Point: 164.6oC
• PSA: 29.10000
• Density: 1.07g/cm3
• LogP: 2.45510
• Storage Temp.: 2-8°C
• XLogP3: 1.9
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 3
• Exact Mass: 189.0920418
• Heavy Atom Count: 12
• Complexity: 144

Purity/Quality:

98%min ^*data from raw suppliers

3-chloro-N-cyclohexylpropanamide ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CCC(CC1)NC(=O)CCCl

Technology Process of 3-chloro-N-cyclohexylpropanamide

There total 2 articles about 3-chloro-N-cyclohexylpropanamide 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: 96.0%

→ 3-chloro-N-cyclohexylpropanamide (61872-76-2)

Guidance literature:

Reference yield:

cyclohexylamine (108-91-8,157973-60-9) + 2-chloropropionyl chloride (625-36-5) → 3-chloro-N-cyclohexylpropanamide (61872-76-2)

Guidance literature:

With diethyl ether;

Reference yield: 33.0%

3-chloro-N-cyclohexylpropanamide (61872-76-2) + (1S,4S)-2,5-Diaza-bicyclo[2.2.1]heptane-2-carboxylic acid tert-butyl ester (113451-59-5,174823-32-6) → 3-[(1S,4S)-5-Boc-2,5-diazabicyclo[2.2.1]heptan-2-yl]-N-cyclohexylpropanamide (1259917-05-9)

Guidance literature:

With sodium carbonate; In ethanol; for 4h; Reflux;

DOI:10.1016/j.bmc.2013.02.058

upstream raw materials:

cyclohexylamine

2-chloropropionyl chloride

Downstream raw materials:

N-(2,3-dihydro-benzo[1,4]dioxin-2-ylmethyl)-β-alanine-cyclohexylamide

N-cyclohexyl acrylamide

3-benzylsulfanyl-propionic acid cyclohexylamide

3-ethylsulfanyl-propionic acid cyclohexylamide