1-Azido-3-chlorobenzene

Base Information

• Chemical Name: 1-Azido-3-chlorobenzene
• CAS No.: 3296-06-8
• Molecular Formula: C6H4ClN3
• Molecular Weight: 153.571
• Hs Code.: 2929909090
• European Community (EC) Number: 663-395-4
• DSSTox Substance ID: DTXSID50454170
• Nikkaji Number: J507.088K
• Wikidata: Q82275530
• Mol file: 3296-06-8.mol

Synonyms:1-azido-3-chlorobenzene;3296-06-8;m-chlorophenyl azide;3-Chlorophenyl azide;SCHEMBL15245371;DTXSID50454170;NTTKOAYXVOKLEH-UHFFFAOYSA-N;AKOS009325247;EN300-51476;F2157-0479

Chemical Property of 1-Azido-3-chlorobenzene

Chemical Property:

• Flash Point: -33℃
• PSA: 49.75000
• LogP: 2.73456
• Storage Temp.: ?20°C
• XLogP3: 3.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 153.0093748
• Heavy Atom Count: 10
• Complexity: 153

Purity/Quality:

98%,99%, ^*data from raw suppliers

1-Azido-3-chlorobenzene ^*data from reagent suppliers

Safty Information:

• Pictogram(s): 1817835
• Hazard Codes: F,T
• Statements: 11-38-48/23/24/25
• Safety Statements: 16

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

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

Technology Process of 1-Azido-3-chlorobenzene

There total 12 articles about 1-Azido-3-chlorobenzene 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: 100.0%

3-chloro-aniline (108-42-9) → 1-azido-3-chlorobenzene (3296-06-8)

Guidance literature:

With tert.-butylnitrite; trimethylsilylazide; In acetonitrile; at 0 - 20 ℃; for 1h;

DOI:10.1039/c3cc43838d

Reference yield: 88.0%

1-bromo-3-chlorobenzene (108-37-2) → 1-azido-3-chlorobenzene (3296-06-8)

Guidance literature:

With sodium azide; copper iron oxide; L-proline; sodium hydroxide; In water; N,N-dimethyl-formamide; at 115 ℃; for 10h;

DOI:10.1055/s-0034-1378903

Reference yield: 85.0%

3-iodochlorobenzene (625-99-0) → 1-azido-3-chlorobenzene (3296-06-8)

Guidance literature:

With sodium azide; copper diacetate; 1,8-diazabicyclo[5.4.0]undec-7-ene; In dimethyl sulfoxide; at 95 ℃; for 4.5h;

upstream raw materials:

3-chlorobenzenediazonium

(3-chloro-phenyl)-pentazole

3-chlorophenyl hydrazine

3-chloro-aniline

Downstream raw materials:

N-(3-chlorophenyl)-2,3-dihydro-1H-inden-1-imine

1-[3-(3-Chloro-phenyl)-3H-[1,2,3]triazol-4-yl]-piperidine

4-[3-(3-Chloro-phenyl)-3H-[1,2,3]triazol-4-yl]-morpholine

1-(3-Chloro-phenyl)-1H-[1,2,3]triazole-4-carbonitrile

Refernces

• 1、 Bitla, Sampath,Gayatri, Akkiraju Anjini,Puchakayala, Muralidhar Reddy,Kumar Bhukya, Vijaya,Vannada, Jagadeshwar,Dhanavath, Ramulu,Kuthati, Bhaskar,Kothula, Devender,Sagurthi, Someswar Rao,Atcha, Krisham Raju. "Design and synthesis, biological evaluation of bis-(1,2,3- and 1,2,4)-triazole derivatives as potential antimicrobial and antifungal agents". . . Retrieved 2021.
• 2、 Alam, Mohammad Mahboob,Alzahrani, Hessah Abdullah,Elhenawy, Ahmed A.,Malebari, Azizah M.,Nazreen, Syed. "Synthesis, antiproliferative, docking and DFT studies of benzimidazole derivatives as EGFR inhibitors". . . Retrieved 2022/01/04.
• 3、 Abbaspour, M.,Mohammadi Ziarani, G.,Rafiee, F.. "Immobilization of vitamin B1 on the magnetic dialdehyde starch as an efficient carbene-type support for the copper complexation and its catalytic activity examination". . . Retrieved 2021/11/16.