4-chloro-N-cyclohexylbutanamide

Base Information

• Chemical Name: 4-chloro-N-cyclohexylbutanamide
• CAS No.: 69601-43-0
• Molecular Formula: C₁₀H₁₈ClNO
• Molecular Weight: 203.712
• DSSTox Substance ID: DTXSID50399355
• Mol file: 69601-43-0.mol

Synonyms:4-chloro-N-cyclohexylbutanamide;69601-43-0;Butanamide, 4-chloro-N-cyclohexyl-;SCHEMBL7307871;4-Chloro-N-cyclohexylbutyramide;DTXSID50399355;KYKIYEJLXULPLV-UHFFFAOYSA-N;N-(4-chlorobutyryl)cyclohexylamine;N-gamma-chlorobutyrylcyclohexylamine;MFCD02729224;STL199040;AKOS000145852;CS-0366731

Chemical Property of 4-chloro-N-cyclohexylbutanamide

Chemical Property:

• Melting Point: 76-77 °C(Solv: cyclohexane (110-82-7))
• Boiling Point: 368.1±21.0 °C(Predicted)
• PKA: 15.78±0.20(Predicted)
• PSA: 32.59000
• Density: 1.05±0.1 g/cm3(Predicted)
• LogP: 3.29460
• XLogP3: 2.2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 4
• Exact Mass: 203.1076919
• Heavy Atom Count: 13
• Complexity: 155

Purity/Quality:

99% ^*data from raw suppliers

4-Chloro-N-cyclohexylbutanamide ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 4-chloro-N-cyclohexylbutanamide

There total 1 articles about 4-chloro-N-cyclohexylbutanamide 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: 86.0%

→ N-(4-chlorobutyryl)cyclohexylamine (69601-43-0)

Guidance literature:

Reference yield:

N-(4-chlorobutyryl)cyclohexylamine (69601-43-0) → 5-(3-chloropropyl)-1-cyclohexyltetrazole (73963-29-8)

Guidance literature:

With tris-(2-chloro-ethyl)-amine; phosphorus pentachloride; Yield given. Multistep reaction; 1.) r.t., 1 h, benzene, 2.) benzene, r.t., reflux, 2 h;

DOI:10.1248/cpb.31.1151

Downstream raw materials:

5-(3-chloropropyl)-1-cyclohexyltetrazole

Refernces