2,2,2-Trifluoro-N-(4-methoxyphenyl)acetimidoyl Chloride

Base Information

• Chemical Name: 2,2,2-Trifluoro-N-(4-methoxyphenyl)acetimidoyl Chloride
• CAS No.: 75999-66-5
• Molecular Formula: C9H7 Cl F3 N O
• Molecular Weight: 237.609
• Hs Code.: 2925290090
• European Community (EC) Number: 672-613-7
• Nikkaji Number: J519.468G,J863.969H
• Mol file: 75999-66-5.mol

Synonyms:75999-66-5;2,2,2-Trifluoro-N-(4-methoxyphenyl)acetimidoyl Chloride;N-(4-METHOXYPHENYL)TRIFLUOROACETIMIDOYL CHLORIDE;2,2,2-Trifluoro-N-(4-methoxyphenyl)ethanimidoyl Chloride;N-(4-Methoxyphenyl)-2,2,2-trifluoroacetimidoyl Chloride;2,2,2-TRIFLUORO-N-(4-METHOXY-PHENYL)-ACETIMIDOYL CHLORIDE;SCHEMBL5546921;SCHEMBL5546925;2,2,2-Trifluoro-N-(4-methoxyphenyl)acetimidoylChloride;SCHEMBL14378455;CIRVADWNFWYATJ-RIYZIHGNSA-N;CIRVADWNFWYATJ-ZSOIEALJSA-N;MFCD09030149;AKOS009271056;AKOS030240604;BS-22774;FT-0671351;T2638;T72914;A865579;N-(4-Methoxyphenyl)trifluoroacetimidic acid chloride;(Z)-N-(4-Methoxyphenyl)-2,2,2-trifluoroacetimidoyl chloride;2,2,2-TRIFLUORO-N-(4-METHOXY-PHENYL)-ACETIMIDOYLCHLORIDE;(Z)-2,2,2-TRIFLUORO-N-(4-METHOXYPHENYL)ETHANECARBONIMIDOYL CHLORIDE

Chemical Property of 2,2,2-Trifluoro-N-(4-methoxyphenyl)acetimidoyl Chloride

Chemical Property:

• Vapor Pressure: 0.0886mmHg at 25°C
• Refractive Index: 1.464
• Boiling Point: 232.7°C at 760 mmHg
• PKA: -1.45±0.50(Predicted)
• Flash Point: 94.5°C
• PSA: 21.59000
• Density: 1.3g/cm³
• LogP: 3.52630
• Solubility.: Chloroform, Hexane
• XLogP3: 3.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 2
• Exact Mass: 237.0168260
• Heavy Atom Count: 15
• Complexity: 234

Purity/Quality:

98%,99%, ^*data from raw suppliers

N-(4-Methoxyphenyl)trifluoroacetimidoylChloride ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1=CC=C(C=C1)N=C(C(F)(F)F)Cl
• Uses: N-(4-Methoxyphenyl)trifluoroacetimidoyl Chloride (cas# 75999-66-5) is a compound useful in organic synthesis.

Technology Process of 2,2,2-Trifluoro-N-(4-methoxyphenyl)acetimidoyl Chloride

There total 4 articles about 2,2,2-Trifluoro-N-(4-methoxyphenyl)acetimidoyl 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: 91.0%

4-methoxy-aniline (104-94-9) + trifluoroacetic acid (76-05-1) → (Z)-2,2,2-trifluoro-N-(4-methoxyphenyl)acetimidoyl chloride (75999-66-5)

Guidance literature:

With tetrachloromethane; triethylamine; triphenylphosphine; for 3h; Heating;

DOI:10.1021/jo00053a011

Reference yield: 89.0%

4-methoxy-aniline (104-94-9) + trifluoroacetic acid (76-05-1) → N-(4-methoxyphenyl)trifluoroacetimidoyl chloride (75999-66-5)

Guidance literature:

trifluoroacetic acid; With tetrachloromethane; triethylamine; triphenylphosphine; In tetrachloromethane; for 0.166667h; Cooling with ice;

4-methoxy-aniline; In tetrachloromethane; for 4h; Reflux;

Reference yield: 83.6%

2,2,2-trifluoro-N-(4-methoxy-phenyl)-acetamide (332-34-3) → (Z)-2,2,2-trifluoro-N-(4-methoxyphenyl)acetimidoyl chloride (75999-66-5)

Guidance literature:

With triethylamine; chlorophosphoric acid diphenyl ester; In acetonitrile; at 82 ℃; for 22h; Product distribution / selectivity;

upstream raw materials:

4-methoxy-aniline

trifluoroacetic acid

2,2,2-trifluoro-N-(4-methoxy-phenyl)-acetamide

Downstream raw materials:

N-(4-methoxyphenyl)-N'-phenyl-2,2,2-trifluoroethanimidamide

2-Cyano-4,4,4-trifluoro-3--2-butenonitrile

N-(4-methoxyphenyl)-N-[2,2,2-trifluoro-1-(trimethylsilyl)ethylidene]amine

1,N-bis(trimethylsilyl)-2,2-difluoro-1-[N-(p-methoxyphenyl)]aminoethene

Refernces

• 1、 Sajadi, Mahdieh Sadat,Kazemi, Elham,Darehkordi, Ali. "Palladium-catalyzed synthesis of novel trifluoromethylated quinazolinone, N-arylquinazoline and N-benzylquinazoline derivatives". supporting information. . Retrieved 2021/04/23.
• 2、 Chen, Zhengkai,Du, Shiying,Song, Yufei,Wang, Le-Cheng,Wu, Xiao-Feng. "The cascade coupling/iodoaminocyclization reaction of trifluoroacetimidoyl chlorides and allylamines: metal-free access to 2-trifluoromethyl-imidazolines". supporting information. p. 6115 - 6119. Retrieved 2021/07/21.