4-(4-(4-(Trifluoromethyl)phenyl)thiazol-2-yl)benzene-1-sulfonyl chloride

Base Information

• Chemical Name: 4-(4-(4-(Trifluoromethyl)phenyl)thiazol-2-yl)benzene-1-sulfonyl chloride
• CAS No.: 446883-84-7
• Molecular Formula: C16H9ClF3NO2S2
• Molecular Weight: 403.833
• DSSTox Substance ID: DTXSID90460018
• Nikkaji Number: J1.871.792A
• Mol file: 446883-84-7.mol

Synonyms:446883-84-7;4-(4-(4-(Trifluoromethyl)phenyl)thiazol-2-yl)benzene-1-sulfonyl chloride;4-[4-[4-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]benzenesulfonyl Chloride;4-(4-(4-(Trifluoromethyl)phenyl)thiazol-2-yl)benzene-1-sulfonylchloride;4-(4-(4-(trifluoromethyl)phenyl)thiazol-2-yl)benzenesulfonyl chloride;4-{4-[4-(Trifluoromethyl)phenyl]-1,3-thiazol-2-yl}benzene-1-sulfonyl chloride;4-{4-[4-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl}benzenesulfonyl chloride;Benzenesulfonyl chloride, 4-[4-[4-(trifluoromethyl)phenyl]-2-thiazolyl]-;4-[4-[4-(Trifluoromethyl)phenyl]-2-thiazolyl]-benzenesulfonylchloride;SCHEMBL718631;DTXSID90460018;BCP23350;MFCD11865325;AKOS015900480;4-(4-(4-(trifluoroMethyl)phenyl)thiazol-2-yl);A847743;Q-103563;4-(4-(4-(trifluoromethyl)phenyl)thiazol-2-yl)benze;Benzenesulfonyl chloride,4-[4-[4-(trifluoromethyl)phenyl]-2-thiazolyl]-

Chemical Property of 4-(4-(4-(Trifluoromethyl)phenyl)thiazol-2-yl)benzene-1-sulfonyl chloride

Chemical Property:

• Vapor Pressure: 1.59E-09mmHg at 25°C
• Refractive Index: 1.579
• Boiling Point: 496.9 °C at 760 mmHg
• Flash Point: 254.3 °C
• PSA: 83.65000
• Density: 1.48 g/cm³
• LogP: 6.50420
• XLogP3: 5.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 3
• Exact Mass: 402.9715331
• Heavy Atom Count: 25
• Complexity: 551

Purity/Quality:

98%min ^*data from raw suppliers

4-(4-(4-(Trifluoromethyl)phenyl)thiazol-2-yl)benzene-1-sulfonylchloride 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=CC=C1C2=CSC(=N2)C3=CC=C(C=C3)S(=O)(=O)Cl)C(F)(F)F

Technology Process of 4-(4-(4-(Trifluoromethyl)phenyl)thiazol-2-yl)benzene-1-sulfonyl chloride

There total 16 articles about 4-(4-(4-(Trifluoromethyl)phenyl)thiazol-2-yl)benzene-1-sulfonyl chloride 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: 97.0%

sodium 4-[4-(4-trifluoromethyl-phenyl)-thiazol-2-yl]-bezenesulfonate → 4-[4-(4-trifluoromethyl-phenyl)-thiazol-2-yl]-bezenesulfonyl chloride (446883-84-7)

Guidance literature:

With thionyl chloride; N,N-dimethyl-formamide; In acetonitrile; at 20 ℃; for 3.5h;

DOI:10.1016/S0040-4020(03)00018-8

Reference yield: 91.0%

4-[4-(4-trifluoromethyl-phenyl)-thiazol-2-yl]-phenylamine → 4-[4-(4-trifluoromethyl-phenyl)-thiazol-2-yl]-bezenesulfonyl chloride (446883-84-7)

Guidance literature:

4-[4-(4-trifluoromethyl-phenyl)-thiazol-2-yl]-phenylamine; With hydrogenchloride; acetic acid; sodium nitrite; In water; acetonitrile; at 5 ℃; for 0.333333h;

With sulfur dioxide; acetic acid; In water; acetonitrile; at 20 ℃; for 4h; under 258.574 Torr;

DOI:10.1016/S0040-4020(03)00018-8

Reference yield:

4-[4-(4-trifluoromethyl-phenyl)-thiazol-2-yl]-bezenesulfinic acid → 4-[4-(4-trifluoromethyl-phenyl)-thiazol-2-yl]-bezenesulfonyl chloride (446883-84-7)

Guidance literature:

With sulfuryl dichloride; In acetonitrile; at 2 ℃; for 0.5h;

DOI:10.1016/S0040-4020(03)00018-8

upstream raw materials:

1-(4-trifluoromethylphenyl)ethanone

p-bromothiobanzamide

4-bromobenzenecarbonitrile

2-bromo-1-[4-(trifluoromethyl)phenyl]ethanone

Downstream raw materials:

tert-butyl (2R,5S)-2-[(R)-{[tert-butyl(dimethyl)silyl]oxy}(pyridin-3-yl)methyl]-5-(4-{[(4-{4-[4-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl}phenyl)sulfonyl]amino}benzyl)pyrrolidine-1-carboxylate trifluoroacetate

tert-butyl(2R,5S)-2-[(R)-{[tert-butyl(dimethyl)silyl]oxy}(phenyl)methyl-5-(4-{[(4-{4-[4-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl}phenyl)sulfonyl]amino}benzyl)pyrrolidine]-1-carboxylate

(R)-N-(2-hydroxy-2-pyridin-3-yl-ethyl)-2-(4-{4-[4-trifluoromethyl-phenyl-thiazol-2-yl]-benzenesulfonylamino}-phenyl)-acetamide

Refernces

• 1、 Ikemoto, Norihiro,Liu, Jinchu,Brands, Karel M.J.,McNamara, James M.,Reider, Paul J.. "Practical routes to the triarylsulfonyl chloride intermediate of a β3 adrenergic receptor agonist". . p. 1317 - 1325. Retrieved 2007/10/03.