1H-Tetrazole, 5-(o-(alpha,alpha,alpha-trifluoro-m-toluidino)phenyl)-

Base Information

Chemical Name:1H-Tetrazole, 5-(o-(alpha,alpha,alpha-trifluoro-m-toluidino)phenyl)-
CAS No.:13481-63-5
Molecular Formula:C₁₄H₁₀F₃N₅
Molecular Weight:305.262
Hs Code.:2933990090
UNII:X5GS2Y5HNJ
DSSTox Substance ID:DTXSID70158961
Nikkaji Number:J130.146B
Wikidata:Q83027251
ChEMBL ID:CHEMBL3819495
Mol file:13481-63-5.mol

Synonyms:13481-63-5;1H-Tetrazole, 5-(o-(alpha,alpha,alpha-trifluoro-m-toluidino)phenyl)-;BRN 1225366;X5GS2Y5HNJ;5-(2-(3-Trifluoromethylanilino)phenyl)tetrazole;2-(2H-tetrazol-5-yl)-N-[3-(trifluoromethyl)phenyl]aniline;5-(o-(alpha,alpha,alpha-Trifluoro-m-toluidino)phenyl)-1H-tetrazole;2-(5-TETRAZOLYL)-N-(3-TRIFLUOROMETHYLPHENYL) ANILINE;UNII-X5GS2Y5HNJ;CHEMBL3819495;SCHEMBL21749299;DTXSID70158961;C14-H10-F3-N5;LS-149192;5-[2-[3-(Trifluoromethyl)anilino]phenyl]-1H-tetrazole;Benzenamine, 2-(1H-tetrazol-5-yl)-N-[3-(trifluoromethyl)phenyl]-;BENZENAMINE, 2-(2H-TETRAZOL-5-YL)-N-(3-(TRIFLUOROMETHYL)PHENYL)-

Suppliers and Price of 1H-Tetrazole, 5-(o-(alpha,alpha,alpha-trifluoro-m-toluidino)phenyl)-

Supply Marketing:

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

Manufacturers and distributors:

Manufacture/Brand
Chemicals and raw materials
Packaging
price

American Custom Chemicals Corporation
5-(O-(ALPHA,ALPHA,ALPHA-TRIFLUORO-META-TOLUIDINO)PHENYL)-1H-TETRAZOLE 95.00%
5MG
$ 496.38

Total 4 raw suppliers

Chemical Property of 1H-Tetrazole, 5-(o-(alpha,alpha,alpha-trifluoro-m-toluidino)phenyl)-

Chemical Property:

Vapor Pressure:6.51E-08mmHg at 25°C
Boiling Point:439.2°C at 760 mmHg
Flash Point:219.4°C
PSA：66.49000
Density:1.438g/cm³
LogP:3.70210
XLogP3:3.6
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:3
Exact Mass:305.08882983
Heavy Atom Count:22
Complexity:365

Purity/Quality:

99% ^*data from raw suppliers

5-(O-(ALPHA,ALPHA,ALPHA-TRIFLUORO-META-TOLUIDINO)PHENYL)-1H-TETRAZOLE 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(=C1)C2=NNN=N2)NC3=CC=CC(=C3)C(F)(F)F

Technology Process of 1H-Tetrazole, 5-(o-(alpha,alpha,alpha-trifluoro-m-toluidino)phenyl)-

There total 4 articles about 1H-Tetrazole, 5-(o-(alpha,alpha,alpha-trifluoro-m-toluidino)phenyl)- 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:

: 57975-93-6
2-[4-(trifluoromethyl)anilino]benzoic acid

: 13481-63-5,22193-73-3
SKF-32802

Guidance literature:: With hydrazine hydrate; acetic acid; In ethanol; at 60 ℃; for 1h;
DOI:10.1016/j.bmcl.2016.09.020

Reference yield:

: 13481-62-4
2-((3-(trifluoromethyl)phenyl)amino)benzonitrile

: 13481-63-5,22193-73-3
SKF-32802

Guidance literature:: With sodium azide; tributyltin chloride; tetrabutylammomium bromide; In N,N-dimethyl-formamide; at 165 ℃;
DOI:10.1007/s00018-019-03194-2

Reference yield:

: 2042-37-7
o-cyanobromobenzene

: 98-16-8
3-trifluoromethylaniline

: 13481-63-5,22193-73-3
SKF-32802

Guidance literature:: Multi-step reaction with 2 steps

1: palladium diacetate; 2,2'-bis-(diphenylphosphino)-1,1'-binaphthyl; caesium carbonate / toluene / 120 °C

2: sodium azide; tributyltin chloride; tetrabutylammomium bromide / N,N-dimethyl-formamide / 165 °C

With sodium azide; tributyltin chloride; tetrabutylammomium bromide; palladium diacetate; caesium carbonate; 2,2'-bis-(diphenylphosphino)-1,1'-binaphthyl; In N,N-dimethyl-formamide; toluene; 1: |Buchwald-Hartwig Coupling;
DOI:10.1007/s00018-019-03194-2