1,6-Diazidohexane

Base Information

• Chemical Name: 1,6-Diazidohexane
• CAS No.: 13028-54-1
• Molecular Formula: C6H12N6
• Molecular Weight: 168.201
• DSSTox Substance ID: DTXSID00407717
• Nikkaji Number: J1.495.291H
• Mol file: 13028-54-1.mol

Synonyms:1,6-diazidohexane;13028-54-1;Hexane, 1,6-diazido-;Hexamethylendiazid;SCHEMBL14190502;DTXSID00407717;FT-0713741;E83184

Chemical Property of 1,6-Diazidohexane

Chemical Property:

• PSA: 99.50000
• LogP: 2.07292
• XLogP3: 3.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 7
• Exact Mass: 168.11234441
• Heavy Atom Count: 12
• Complexity: 166

Purity/Quality:

98%min ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C(CCCN=[N+]=[N-])CCN=[N+]=[N-]

Technology Process of 1,6-Diazidohexane

There total 3 articles about 1,6-Diazidohexane 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: 99.0%

1 ,6-dibromohexane (629-03-8) → 1,6-diazidohexane (13028-54-1)

Guidance literature:

With sodium azide; In water; N,N-dimethyl-formamide; at 80 ℃; for 20h;

DOI:10.1016/S0040-4039(01)00282-9

Reference yield: 68.0%

1,6-hexanediol (629-11-8) → 1,6-diazidohexane (13028-54-1)

Guidance literature:

1,6-hexanediol; With dmap; toluene-4-sulfonic acid; triethylamine; In dichloromethane; Inert atmosphere;

With sodium azide; In N,N-dimethyl-formamide; at 80 ℃; Inert atmosphere;

DOI:10.1016/j.ejmech.2020.112203

Reference yield:

1,6-bis(p-toluenesulfonyloxy)hexane (4672-50-8) → 1,6-diazidohexane (13028-54-1)

Guidance literature:

With sodium azide; In N,N-dimethyl-formamide; at 80 ℃; for 24h;

DOI:10.1021/bm101005j

upstream raw materials:

1 ,6-dibromohexane

1,6-bis(p-toluenesulfonyloxy)hexane

1,6-hexanediol

Downstream raw materials:

6-azido-hexylamine

monobenzyloxycarbonyl hexamethylenediamine hydrochloride

dibenzyl (3β,3'β)-3,3'-[hexane-1,6-diylbis(1H-1,2,3-triazole-1,4-diylmethanediyloxy)]bisolean-12-en-28-oate

Triphenylphosphine oxide