2,2,2-Trifluoro-N-phenylacetimidoyl Chloride

Base Information

• Chemical Name: 2,2,2-Trifluoro-N-phenylacetimidoyl Chloride
• CAS No.: 61881-19-4
• Molecular Formula: C8H5ClF3N
• Molecular Weight: 207.583
• Hs Code.: 2925290090
• European Community (EC) Number: 672-669-2
• DSSTox Substance ID: DTXSID40434885
• Nikkaji Number: J519.473C
• Mol file: 61881-19-4.mol

Synonyms:2,2,2-Trifluoro-N-phenylacetimidoyl Chloride;61881-19-4;2,2,2-trifluoro-N-phenylethanecarbonimidoyl chloride;N-phenyl-2,2,2-trifluoroacetimidoyl chloride;2,2,2-trifluoro-N-phenylethanimidoyl chloride;2,2,2-Trifluoro-N-phenylacetimidoylChloride;Ethanimidoyl chloride, 2,2,2-trifluoro-N-phenyl-;MFCD11042687;N-phenyl trifluoroacetimidoyl chloride;C8H5ClF3N;SCHEMBL398431;SCHEMBL1743759;DTXSID40434885;UKKALSJSKAHGTL-NTUHNPAUSA-N;UKKALSJSKAHGTL-QPEQYQDCSA-N;AC1116;AKOS009270902;AKOS028108823;SB77879;N-Phenyltrifluoroacetimidic acid chloride;CS-12598;SY106125;CS-0098235;T2547;2,2,2-trifluoro-N-phenyl-acetimidoyl chloride;EN300-107073;EN300-1716977;A902581;(1Z)-2,2,2-trifluoro-N-phenylethanimidoyl chloride;(Z)-N-(1-chloro-2,2,2-trifluoroethylidene)benzenamine;F2147-0900;(Z)-2,2,2-TRIFLUORO-N-PHENYLETHANECARBONIMIDOYL CHLORIDE

Chemical Property of 2,2,2-Trifluoro-N-phenylacetimidoyl Chloride

Chemical Property:

• Vapor Pressure: 1.544mmHg at 25°C
• Refractive Index: 1.4750-1.4800
• Boiling Point: 53oC / 10mmHg
• PKA: -1.60±0.50(Predicted)
• Flash Point: 59.879oC
• PSA: 12.36000
• Density: 1.29g/cm3
• LogP: 3.51770
• Storage Temp.: 0-10°C
• Solubility.: Chloroform (Slightly), Methanol (Slightly)
• XLogP3: 3.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 1
• Exact Mass: 207.0062613
• Heavy Atom Count: 13
• Complexity: 194

Purity/Quality:

98%, ^*data from raw suppliers

2,2,2-Trifluoro-N-phenylacetimidoyl chloride ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C=C1)N=C(C(F)(F)F)Cl
• Uses: 2,?2,?2-?Trifluoro-?N-?phenylacetimidoyl Chloride can be used as reactant/reagent in synthesis of oligo-fructopyranoside with difructopyranosyl N-phenyltrifluoroacetimidate donor via regioselective glycosylation.

Technology Process of 2,2,2-Trifluoro-N-phenylacetimidoyl Chloride

There total 6 articles about 2,2,2-Trifluoro-N-phenylacetimidoyl 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: 83.0%

aniline (62-53-3) + trifluoroacetic acid (76-05-1) → 2,2,2-trifluoro-N-phenyl-acetimidoyl chloride (61881-19-4)

Guidance literature:

trifluoroacetic acid; With tetrachloromethane; triethylamine; triphenylphosphine; In tetrachloromethane; at 0 ℃; for 0.166667h;

aniline; In tetrachloromethane; for 3h; Reflux;

Reference yield: 83.0%

2,2,2-trifluoro-N-phenylacetamide (404-24-0) → 2,2,2-trifluoro-N-phenyl-acetimidoyl chloride (61881-19-4)

Guidance literature:

With pyridine; trichlorophosphate; at 160 ℃; for 4h; Autoclave; neat (no solvent);

DOI:10.3390/molecules17044533

Reference yield: 75.0%

2,2,2,4-tetrachloro-3-phenyl-4-triflyoromethyl-1,3,2-λ5-oxazaphosphetane → 1,3-diphenyl-2,2,2,4,4,4-hexachloro-1,3-diaza-2,4-diphosphetidine (5699-82-1) + 2,2,2-trifluoro-N-phenyl-acetimidoyl chloride (61881-19-4)

Guidance literature:

In toluene; for 0.333333h; Heating;

DOI:10.1007/s11172-005-0316-2

upstream raw materials:

2,2,2-trifluoro-N-phenylethanethioamide

2,2,2-trifluoro-N-phenylacetamide

aniline

trifluoroacetic acid