3,4,5-Trifluorobenzoyl chloride

Base Information

• Chemical Name: 3,4,5-Trifluorobenzoyl chloride
• CAS No.: 17787-26-7
• Molecular Formula: C₆H₁₈Cl₂O₆P₂Pd
• Molecular Weight: 425.479
• European Community (EC) Number: 623-691-6,671-453-5
• DSSTox Substance ID: DTXSID60938991
• Nikkaji Number: J3.588.010K
• Wikidata: Q72510959
• Mol file: 17787-26-7.mol

Synonyms:3,4,5-Trifluorobenzoyl chloride;177787-26-7;3,4,5-trifluorobenzoylchloride;17787-26-7;Benzoyl chloride, 3,4,5-trifluoro-;3 4 5-TRIFLUOROBENZOYL CHLORIDE 97;starbld0001660;SCHEMBL193908;DTXSID60938991;YRUNCQNKZIQTEO-UHFFFAOYSA-N;MFCD00083526;3,4,5-Trifluorobenzoic acid chloride;AKOS009159221;3,4,5-Trifluorobenzoyl chloride, 97%;PS-10696;FT-0614142;FT-0693210;J3.588.010K;D94577;7-(5-amino-5-carboxyvaleramido)cephalosporanicacid;A812297;J-011327

Chemical Property of 3,4,5-Trifluorobenzoyl chloride

Chemical Property:

• Refractive Index: n20/D 1.4900(lit.)
• Boiling Point: 173-174 °C(lit.)
• Flash Point: 154 °F
• PSA: 82.56000
• Density: 1.4850 g/mL at 25 °C(lit.)
• LogP: -3.68700
• XLogP3: 2.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 1
• Exact Mass: 193.9746269
• Heavy Atom Count: 12
• Complexity: 176

Purity/Quality:

97% ^*data from raw suppliers

Safty Information:

• Hazard Codes: C
• Statements: 34
• Safety Statements: 26-27-36/37/39-45

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=C(C=C(C(=C1F)F)F)C(=O)Cl

Technology Process of 3,4,5-Trifluorobenzoyl chloride

There total 8 articles about 3,4,5-Trifluorobenzoyl 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: 72.0%

methanol (67-56-1) + dichloro bis(acetonitrile) palladium(II) (21264-30-2,90243-59-7,14592-56-4) + tri(o-t-butylphenyl)phosphite (31502-36-0) → cis-[PdCl2(P(OMe)3)2] (17787-26-7,30153-54-9) + trans-[PdCl2(P(OC6H4-2-tBu)3)2] (882739-04-0)

Guidance literature:

In dichloromethane; all manipulations under N2 atm.; soln. of P and Pd compds. stirred for 1.5 h at room temp.; MeOH added, concd. in vac.; elem. anal.;

DOI:10.1016/j.poly.2005.11.014

Reference yield: 63.0%

methanol (67-56-1) + dichloro bis(acetonitrile) palladium(II) (21264-30-2,90243-59-7,14592-56-4) + tris(2-isopropylphenyl)phosphite (31502-35-9) → cis-[PdCl2(P(OMe)3)2] (17787-26-7,30153-54-9) + cis/trans-[PdCl2(P(OC6H4-2-iPr)3)2] (882739-05-1,883152-86-1)

Guidance literature:

In dichloromethane; all manipulations under N2 atm.; soln. of P and Pd compds. stirred for 1.5 h at room temp.; MeOH added, concd. in vac.; elem. anal.;

DOI:10.1016/j.poly.2005.11.014

Reference yield: 50.0%

dichloro(1,5-cyclooctadiene)palladium(II) (12107-56-1) + phosphorous acid trimethyl ester (121-45-9) → cis-[PdCl2(P(OMe)3)2] (17787-26-7,30153-54-9)

Guidance literature:

In methanol; under N2; Pd complex reacted with 4 equivs. of phosphorus ligand; product washed with Et2O and dried in vacuo; elem. anal.;

DOI:10.1139/v01-075

upstream raw materials:

methanol

cis-[PdCl₂(P(OC₆H₃-3,5-Me₂)3)2]

triphenyl phosphite

dichloro bis(acetonitrile) palladium(II)

Downstream raw materials:

cis-[PdCl(2-(diphenylphosphinoamino)pyridine-P,N)(P(OMe)3)]Cl

Refernces

• 1、 Trzeciak,Bartosz-Bechowski,Ciunik,Niesyty,Ziolkowski. "Structural studies of PdCl2L2 complexes with fluorinated phosphines, phosphites, and phosphinites as precursors of benzyl bromide carbonylation catalysts, and and X-ray crystal structure of cis-PdCl2[PPh2 (OEt)]2". . p. 752 - 759. Retrieved 2007/10/03.