N-(2-Chloroethyl)-N-hexyl-1-hexanamine

Base Information

• Chemical Name: N-(2-Chloroethyl)-N-hexyl-1-hexanamine
• CAS No.: 57616-80-5
• Molecular Formula: C14H30ClN
• Molecular Weight: 247.85
• DSSTox Substance ID: DTXSID901283797
• Nikkaji Number: J395.519B
• Mol file: 57616-80-5.mol

Synonyms:N-(2-Chloroethyl)-N-hexyl-1-hexanamine;57616-80-5;dihexyl-(2-chloro ethyl)amine;SCHEMBL11646501;DTXSID901283797

Chemical Property of N-(2-Chloroethyl)-N-hexyl-1-hexanamine

Chemical Property:

• PSA: 3.24000
• LogP: 4.68780
• XLogP3: 5.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 12
• Exact Mass: 247.2066777
• Heavy Atom Count: 16
• Complexity: 116

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CCCCCCN(CCCCCC)CCCl

Technology Process of N-(2-Chloroethyl)-N-hexyl-1-hexanamine

There total 2 articles about N-(2-Chloroethyl)-N-hexyl-1-hexanamine 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: 71.0%

→ N-(2-chloroethyl)-N-hexylhexan-1-amine (57616-80-5)

Guidance literature:

With methanesulfonyl chloride; triethylamine; In dichloromethane; at 0 - 20 ℃; for 16h;

Reference yield:

2-(dihexylamino)ethan-1-ol (29234-26-2) → N-(2-chloroethyl)-N-hexylhexan-1-amine (57616-80-5)

Guidance literature:

With thionyl chloride; chloroform; das Hydrochlorid entsteht anfangs unter Kuehlung, zuletzt bei Siedetemperatur;

DOI:10.1021/ja01225a507

Reference yield:

aqueous potassium hydroxide + (2E)-but-2-enedioic acid (110-17-8,26099-09-2) + N-(2-chloroethyl)-N-hexylhexan-1-amine (57616-80-5) + 7-chloro-1,3-dihydro-5-(o-chlorophenyl)-2H-1,4-benzodiazepine-2-thione (2894-71-5,49853-64-7) → 2-(2-di-hexylaminoethylthio)-5-(2-chlorophenyl)-7-chloro-3H-1,4-benzodiazepine fumarate (57616-82-7)

Guidance literature:

With potassium hydroxide; In tetrahydrofuran; water;

upstream raw materials:

2-(dihexylamino)ethan-1-ol

Downstream raw materials:

2-(2-di-hexylaminoethylthio)-5-(2-chlorophenyl)-7-chloro-3H-1,4-benzodiazepine fumarate

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