2-Azido-1,3-dichloro-benzene

Base Information

• Chemical Name: 2-Azido-1,3-dichloro-benzene
• CAS No.: 57341-09-0
• Molecular Formula: C6H3Cl2N3
• Molecular Weight: 188.016
• DSSTox Substance ID: DTXSID00469234
• Nikkaji Number: J3.046.098G
• Wikidata: Q82296857
• Mol file: 57341-09-0.mol

Synonyms:2-azido-1,3-dichlorobenzene;2-azido-1,3-dichloro-benzene;57341-09-0;2,6-dichlorophenyl azide;Benzene, 2-azido-1,3-dichloro-;SCHEMBL16230383;DTXSID00469234;BYRWOSJFHWKXET-UHFFFAOYSA-N;EN300-734411

Chemical Property of 2-Azido-1,3-dichloro-benzene

Chemical Property:

• PSA: 49.75000
• LogP: 3.38796
• XLogP3: 4.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 186.9704025
• Heavy Atom Count: 11
• Complexity: 169

Purity/Quality:

≥95% ^*data from raw suppliers

2-Azido-1,3-dichloro-benzene ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=C(C(=C1)Cl)N=[N+]=[N-])Cl

Technology Process of 2-Azido-1,3-dichloro-benzene

There total 2 articles about 2-Azido-1,3-dichloro-benzene 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: 97.0%

2,6-Dichloroaniline (608-31-1) → 1-azido-2,6-dichlorobenzene (57341-09-0)

Guidance literature:

2,6-Dichloroaniline; With trifluoroacetic acid; sodium nitrite; In water; at 0 ℃; for 0.5h;

With sodium azide; In water; at 0 - 20 ℃; for 2.16667h;

Reference yield: 37.0%

(2,6-dichlorophenyl)hydrazine monohydrochloride (50709-36-9) → 1-azido-2,6-dichlorobenzene (57341-09-0)

Guidance literature:

With hydrogenchloride; sodium nitrite; In diethyl ether; 0 deg C then 5 deg C, 30 min;

DOI:10.1016/S0022-1139(00)80122-0

Reference yield: 89.52%

1-azido-2,6-dichlorobenzene (57341-09-0) + (E)-4-[3-methoxy-4-(prop-2-yn-1-yloxy)phenyl]but-3-en-2-one → (E)-4-(4-{[1-(2,6-dichlorophenyl)-1H-1,2,3-triazol-4-yl]methoxy}-3-methoxyphenyl)but-3-en-2-one

Guidance literature:

With copper(ll) sulfate pentahydrate; sodium L-ascorbate; In water; tert-butyl alcohol; at 20 ℃;

DOI:10.1039/c7md00267j

upstream raw materials:

(2,6-dichlorophenyl)hydrazine monohydrochloride

2,6-Dichloroaniline

Downstream raw materials:

1-(2,6-Dichloro-phenyl)-4-(4-nitro-phenyl)-5-trifluoromethyl-1H-[1,2,3]triazole

1-(2,6-Dichloro-phenyl)-5-(4-nitro-phenyl)-4-trifluoromethyl-1H-[1,2,3]triazole

5-(4-Chloro-phenyl)-1-(2,6-dichloro-phenyl)-4-trifluoromethyl-1H-[1,2,3]triazole

1-(2,6-Dichloro-phenyl)-4-(4-methoxy-phenyl)-5-trifluoromethyl-1H-[1,2,3]triazole