2-benzyl-2H-1,2,3,4-tetrazol-5-amine

Base Information

• Chemical Name: 2-benzyl-2H-1,2,3,4-tetrazol-5-amine
• CAS No.: 31694-91-4
• Molecular Formula: C8H9N5
• Molecular Weight: 175.193
• European Community (EC) Number: 890-088-4
• DSSTox Substance ID: DTXSID001289700
• ChEMBL ID: CHEMBL1302248

Synonyms:2-benzyl-2H-1,2,3,4-tetrazol-5-amine;31694-91-4;2-benzyl-2H-tetrazol-5-amine;2-benzyltetrazol-5-amine;5-amino-2-benzyltetrazole;SMR000061227;Enamine_002761;Oprea1_322805;MLS000082006;SCHEMBL2326678;CHEMBL1302248;2-benzyl-2H-tetrazol-5-ylamine;DTXSID001289700;HMS1401N11;HMS2173I23;2-Benzyl-2H-tetraazol-5-amine #;MFCD02689458;STL247902;AKOS022639150;2-(Phenylmethyl)-2H-tetrazol-5-amine;CCG-335838;IDI1_007108;AS-62875;2H-Tetrazol-5-amine, 2-(phenylmethyl)-;CS-0217846;EN300-88766;W18857;Z56837204

Chemical Property of 2-benzyl-2H-1,2,3,4-tetrazol-5-amine

Chemical Property:

• XLogP3: 1.4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 175.08579531
• Heavy Atom Count: 13
• Complexity: 157

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C=C1)CN2N=C(N=N2)N

Technology Process of 2-benzyl-2H-1,2,3,4-tetrazol-5-amine

There total 2 articles about 2-benzyl-2H-1,2,3,4-tetrazol-5-amine 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:

5-aminotetrazole (4418-61-5) + benzyl chloride (100-44-7) → 5-amino 2-phenylmethyl 2-H-tetrazole (31694-91-4) + 5-amino-1-benzyltetrazole (31694-90-3)

Guidance literature:

With sodium hydroxide;

DOI:10.1021/ja01632a094

Reference yield:

→ 5-amino 2-phenylmethyl 2-H-tetrazole (31694-91-4)

Guidance literature:

5-Aminotetrazol, Benzylchlorid;

DOI:10.1039/j39710000703

Reference yield: 77.0%

5-amino 2-phenylmethyl 2-H-tetrazole (31694-91-4) + ethyl trifluoroacetaldehyde hemiacetal (433-27-2) → 1-<<2-(phenylmethyl)-2H-tetrazol-5-yl>amino>2,2,2-trifluoroethanol (1-R,S) (107699-70-7)

Guidance literature:

In benzene; at 50 ℃; for 5h;

DOI:10.1016/S0040-4020(01)90554-X

upstream raw materials:

5-aminotetrazole

benzyl chloride

Downstream raw materials:

3-hydroxy-N-<2-(phenylmethyl)-2H-tetrazol-5-yl> 1-butanamide (3-R,S)

3-hydroxy-N-<2-(phenylmethyl) 2H-tetrazol-5-yl> 1-propanamide

(2-Benzyl-2H-tetrazol-5-yl)-(1-methoxy-ethyl)-amine

1-<<2-(phenylmethyl)-2H-tetrazol-5-yl>amino>2,2,2-trifluoroethanol (1-R,S)

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