(7-Chlorothiazolo[5,4-d]pyrimidin-2-yl)-(3-trifluoromethylphenyl)amine

Base Information

• Chemical Name: (7-Chlorothiazolo[5,4-d]pyrimidin-2-yl)-(3-trifluoromethylphenyl)amine
• CAS No.: 871266-82-9
• Molecular Formula: C12H6 Cl F3 N4 S
• Molecular Weight: 330.72
• DSSTox Substance ID: DTXSID00468126
• Mol file: 871266-82-9.mol

Synonyms:871266-82-9;(7-Chlorothiazolo[5,4-d]pyrimidin-2-yl)-(3-trifluoromethylphenyl)amine;7-CHLORO-N-[3-(TRIFLUOROMETHYL)PHENYL]-[1,3]THIAZOLO[5,4-D]PYRIMIDIN-2-AMINE;7-Chloro-N-(3-(trifluoromethyl)phenyl)thiazolo[5,4-d]pyrimidin-2-amine;DTXSID00468126;7-Chloro-N-[3-(trifluoromethyl)phenyl][1,3]thiazolo[5,4-d]pyrimidin-2-amine

Chemical Property of (7-Chlorothiazolo[5,4-d]pyrimidin-2-yl)-(3-trifluoromethylphenyl)amine

Chemical Property:

• Vapor Pressure: 0mmHg at 25°C
• Refractive Index: 1.667
• Boiling Point: 415.255°C at 760 mmHg
• Flash Point: 204.939°C
• PSA: 78.94000
• Density: 1.62g/cm³
• LogP: 4.57510
• XLogP3: 4.7
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 2
• Exact Mass: 329.9953796
• Heavy Atom Count: 21
• Complexity: 373

Purity/Quality:

97% ^*data from raw suppliers

(7-CHLOROTHIAZOLO[5,4-D]PYRIMIDIN-2-YL)-(3-TRIFLUOROMETHYLPHENYL)AMINE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=CC(=C1)NC2=NC3=C(S2)N=CN=C3Cl)C(F)(F)F

Technology Process of (7-Chlorothiazolo[5,4-d]pyrimidin-2-yl)-(3-trifluoromethylphenyl)amine

There total 1 articles about (7-Chlorothiazolo[5,4-d]pyrimidin-2-yl)-(3-trifluoromethylphenyl)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: 82.0%

5-amino-4,6-dichloropyridimine (5413-85-4) + 1-isothiocyanato-3-trifluoromethyl-benzene (1840-19-3) → (7-chloro[1,3]thiazolo[5,4-d]pyrimidin-2-yl)(3-trifluoromethylphenyl)amine (871266-82-9)

Guidance literature:

With caesium carbonate; In acetonitrile; at 50 ℃; for 16h;

DOI:10.1021/jo0517702

Reference yield:

(7-chloro[1,3]thiazolo[5,4-d]pyrimidin-2-yl)(3-trifluoromethylphenyl)amine (871266-82-9) + 4-trifluoromethylphenylamine (455-14-1) → C19H11F6N5S (1121970-46-4)

Guidance literature:

With toluene-4-sulfonic acid; In toluene; at 120 ℃; for 2h; sealed tube;

DOI:10.1016/j.bmcl.2008.11.024

upstream raw materials:

5-amino-4,6-dichloropyridimine

1-isothiocyanato-3-trifluoromethyl-benzene

Downstream raw materials:

C₁₉H₁₁F₆N₅S