5-Chloro-2-tetrazol-1-YL-benzylamine

Base Information

• Chemical Name: 5-Chloro-2-tetrazol-1-YL-benzylamine
• CAS No.: 449756-95-0
• Molecular Formula: C8H8ClN5
• Molecular Weight: 209.638
• DSSTox Substance ID: DTXSID901244260
• Mol file: 449756-95-0.mol

Synonyms:449756-95-0;(5-CHLORO-2-(1H-TETRAZOL-1-YL)PHENYL)METHANAMINE;1-[5-CHLORO-2-(1H-1,2,3,4-TETRAZOL-1-YL)PHENYL]METHANAMINE;5-CHLORO-2-TETRAZOL-1-YL-BENZYLAMINE;5-Chloro-2-(1-tetrazolyl)benzylamine;SCHEMBL642471;XHZXLOQHCRDFPH-UHFFFAOYSA-N;DTXSID901244260;AB53740;D78731;5-Chloro-2-(1H-tetrazol-1-yl)benzenemethanamine;1-[5-chloro-2-(1H-tetraazol-1-yl)phenyl]methanamine

Chemical Property of 5-Chloro-2-tetrazol-1-YL-benzylamine

Chemical Property:

• Boiling Point: 393.3±52.0 °C(Predicted)
• PKA: 7.92±0.10(Predicted)
• PSA: 69.62000
• Density: 1.54±0.1 g/cm3(Predicted)
• LogP: 1.47470
• XLogP3: 0.7
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 209.0468230
• Heavy Atom Count: 14
• Complexity: 191

Purity/Quality:

98%min ^*data from raw suppliers

(5-CHLORO-2-(1H-TETRAZOL-1-YL)PHENYL)METHANAMINE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=C(C=C1Cl)CN)N2C=NN=N2

Technology Process of 5-Chloro-2-tetrazol-1-YL-benzylamine

There total 8 articles about 5-Chloro-2-tetrazol-1-YL-benzylamine 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: 66.8%

5-chloro-2-(1H-tetrazol-1-yl)benzonitrile (449758-28-5) → 5-Chloro-2-tetrazol-1-yl-benzylamine (449756-95-0)

Guidance literature:

With ammonia; hydrogen; In methanol; at 20 ℃; for 1h;

Reference yield:

tert-butyl 5-chloro-2-(1H-tetrazol-1-yl)benzylcarbamate (1201687-15-1) → 5-Chloro-2-tetrazol-1-yl-benzylamine (449756-95-0)

Guidance literature:

tert-butyl 5-chloro-2-(1H-tetrazol-1-yl)benzylcarbamate; With hydrogenchloride; water; In acetonitrile; at 20 ℃; for 4h;

With sodium hydroxide; In tert-butyl methyl ether; water; ethyl acetate; acetonitrile; Cooling with ice;

Reference yield:

C9H9ClN4O3S → 5-Chloro-2-tetrazol-1-yl-benzylamine (449756-95-0)

Guidance literature:

With ammonia; In methanol; at 20 ℃; for 12h;

upstream raw materials:

tert-butyl 5-chloro-2-(1H-tetrazol-1-yl)benzylcarbamate

5-chloroanthranilic acid

5-chloro-2-(1H-tetrazol-1-yl)benzoic acid

5-chloro-2-(1H-tetrazol-1-yl)benzamide

Downstream raw materials:

(5S)-N-[5-chloro-2-(1H-tetrazol-1-yl)benzyl]-1-[(2R)-2-(4-fluorophenyl)-2-hydroxyacetyl]-4,5-dihydro-1H-pyrazole-5-carboxamide

C₂₅H₃₁ClN₆O₂

(3S)-N-[5-chloro-2-(1H-tetrazol-1-yl)benzyl]-2-[(2R)-2-hydroxy-3,3-dimethylbutanoyl]pyrazolidine-3-carboxamide

(1S,3S,5S)-2-[(R)-2-(3-chlorophenyl)-2-hydroxyacetyl]-2-azabicyclo[3.1.0]hexane-3-carboxylic acid 5-chloro-2-tetrazol-1-ylbenzylamide