N-Butyl-N-chloro-1-butanamine

Base Information

• Chemical Name: N-Butyl-N-chloro-1-butanamine
• CAS No.: 999-33-7
• Molecular Formula: C8H18ClN
• Molecular Weight: 163.691
• NSC Number: 223056
• DSSTox Substance ID: DTXSID20244287
• Nikkaji Number: J1.551.627E
• Wikidata: Q72518227
• Mol file: 999-33-7.mol

Synonyms:N-BUTYL-N-CHLORO-1-BUTANAMINE;999-33-7;N-butyl-N-chlorobutan-1-amine;Dibutylchloramine;Chlorodibutylamine;N-Chlor-dibutylamin;NSC223056;SCHEMBL1785109;N-butyl-N-chloro-butan-1-amine;DTXSID20244287;NSC 223056;NSC-223056;FT-0653300;A846105

Chemical Property of N-Butyl-N-chloro-1-butanamine

Chemical Property:

• Boiling Point: 190.8°Cat760mmHg
• Flash Point: 69.2°C
• PSA: 3.24000
• Density: 0.913g/cm³
• LogP: 3.04240
• XLogP3: 3.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 6
• Exact Mass: 163.1127773
• Heavy Atom Count: 10
• Complexity: 58.3

Purity/Quality:

99% ^*data from raw suppliers

N-BUTYL-N-CHLORO-1-BUTANAMINE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCN(CCCC)Cl

Technology Process of N-Butyl-N-chloro-1-butanamine

There total 2 articles about N-Butyl-N-chloro-1-butanamine 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: 75.0%

dibutylamine (111-92-2) → N-chloro-N,N-dibutylamine (999-33-7) + (butylidene)butylamine (4853-56-9)

Guidance literature:

With trichloroisocyanuric acid; In dichloromethane; at 15 - 20 ℃; for 0.5h;

DOI:10.1055/s-2004-830896

Reference yield: 65.0%

N,N-di-n-butylbenzylamine (4383-27-1) → N-chloro-N,N-dibutylamine (999-33-7) + N-Benzyl-N-butylamine (2403-22-7)

Guidance literature:

With trichloroisocyanuric acid; In dichloromethane; at 5 ℃;

DOI:10.1021/jo4016437

Reference yield: 98.0%

N-chloro-N,N-dibutylamine (999-33-7) + benzaldehyde (100-52-7) → N,N-dibutylbenzamide (25033-65-2)

Guidance literature:

With tert.-butylhydroperoxide; iron(III) chloride hexahydrate; In water; acetonitrile; Inert atmosphere; Reflux;

DOI:10.1002/adsc.201200659 DOI:10.1002/adsc.201200659

upstream raw materials:

dibutylamine

N,N-di-n-butylbenzylamine

Downstream raw materials:

ethylglyoxal

N-butyl-butyramide

dibutylamine

N-butylamine

Refernces

• 1、 De Luca, Lidia,Giacomelli, Giampaolo. "An insight of the reactions of amines with trichloroisocyanuric acid". . p. 2180 - 2184. Retrieved 2007/10/03.