Phenyl [5-(trifluoromethyl)pyridin-2-yl]carbamate

Base Information

• Chemical Name: Phenyl [5-(trifluoromethyl)pyridin-2-yl]carbamate
• CAS No.: 95651-19-7
• Molecular Formula: C13H9 F3 N2 O2
• Molecular Weight: 282.222
• Hs Code.: 2933399090
• DSSTox Substance ID: DTXSID90465543
• Mol file: 95651-19-7.mol

Synonyms:95651-19-7;Phenyl [5-(trifluoromethyl)pyridin-2-yl]carbamate;(5-Trifluoromethyl-pyridin-2-yl)-carbamic acid phenyl ester;Phenyl N-[5-(trifluoromethyl)pyridin-2-yl]carbamate;PHENYL [5-(TRIFLUOROMETHYL)(PYRIDIN-2-YL)]CARBAMATE;phenyl[5-(trifluoromethyl)pyridin-2-yl]carbamate;Phenyl(5-(trifluoromethyl)pyridin-2-yl)carbamate;SCHEMBL60181;DTXSID90465543;MFCD09839676;Phenyl N-(5-Trifluoromethyl-2-pyridinyl)carbamate

Chemical Property of Phenyl [5-(trifluoromethyl)pyridin-2-yl]carbamate

Chemical Property:

• Vapor Pressure: 0mmHg at 25°C
• Refractive Index: 1.562
• Boiling Point: 341.4°Cat760mmHg
• Flash Point: 160.3°C
• PSA: 51.22000
• Density: 1.403g/cm³
• LogP: 3.78430
• XLogP3: 3.2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 3
• Exact Mass: 282.06161202
• Heavy Atom Count: 20
• Complexity: 330

Purity/Quality:

99%, ^*data from raw suppliers

(5-Trifluoromethyl-pyridin-2-yl)-carbamicacidphenylester 95%+ ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C=C1)OC(=O)NC2=NC=C(C=C2)C(F)(F)F

Technology Process of Phenyl [5-(trifluoromethyl)pyridin-2-yl]carbamate

There total 2 articles about Phenyl [5-(trifluoromethyl)pyridin-2-yl]carbamate 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: 85.0%

2-amino-5-trifluoromethylpyridine (74784-70-6) + phenyl chloroformate (1885-14-9) → (5-Trifluoromethyl-pyridin-2-yl)-carbamic acid phenyl ester (95651-19-7)

Guidance literature:

at 0 - 20 ℃;

DOI:10.1021/jm0495071

Reference yield:

→ (5-Trifluoromethyl-pyridin-2-yl)-carbamic acid phenyl ester (95651-19-7)

Guidance literature:

Reference yield: 77.0%

(5-Trifluoromethyl-pyridin-2-yl)-carbamic acid phenyl ester (95651-19-7) → ethyl 4-amino-5-{4-[({[5-(trifluoromethyl)pyridin-2-yl]amino}carbonyl)amino]phenyl}pyrrolo[2,1-f][1,2,4]triazine-6-carboxylate

Guidance literature:

ethyl 4-amino-5-(4-aminophenyl)pyrrolo[2,1-f][1,2,4]triazine-6-carboxylate; With triethylamine; In tetrahydrofuran; at 55 ℃;

(5-Trifluoromethyl-pyridin-2-yl)-carbamic acid phenyl ester; In tetrahydrofuran; for 16h;

upstream raw materials:

2-amino-5-trifluoromethylpyridine

phenyl chloroformate

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