N-(2,2,2-trichloro-1-hydroxyethyl)benzamide

Base Information

• Chemical Name: N-(2,2,2-trichloro-1-hydroxyethyl)benzamide
• CAS No.: 42864-21-1
• Molecular Formula: C9H8Cl3NO2
• Molecular Weight: 268.527
• NSC Number: 52797,22405
• DSSTox Substance ID: DTXSID60275414
• Nikkaji Number: J935.871D
• Mol file: 42864-21-1.mol

Synonyms:N-(2,2,2-trichloro-1-hydroxyethyl)benzamide;6316-07-0;N-(2,2,2-TRICHLORO-1-HYDROXY-ETHYL)BENZAMIDE;NSC52797;SCHEMBL4679419;DTXSID60275414;FBZBFNACFKWRDJ-UHFFFAOYSA-N;NSC22405;NSC-22405;NSC-52797;STK400705;AKOS001026802;AKOS016042819;NSC 151581;1,1,1-trichloro-2-hydroxy-2-benzamidoethane;N-(1-Hydroxy-2,2,2-trichloroethyl)benzamide;2,2,2-TRICHLOROETHANOL PHENYLCARBAMATE;SR-01000078361;SR-01000078361-1;Z56777725

Chemical Property of N-(2,2,2-trichloro-1-hydroxyethyl)benzamide

Chemical Property:

• Vapor Pressure: 0.00299mmHg at 25°C
• Boiling Point: 284.3°C at 760 mmHg
• Flash Point: 125.8°C
• Density: 1.495g/cm³
• XLogP3: 2.5
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 266.962062
• Heavy Atom Count: 15
• Complexity: 224

Purity/Quality:

90%,98% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C=C1)C(=O)NC(C(Cl)(Cl)Cl)O

Technology Process of N-(2,2,2-trichloro-1-hydroxyethyl)benzamide

There total 6 articles about N-(2,2,2-trichloro-1-hydroxyethyl)benzamide 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: 99.0%

2,2,2,-trichloroethoxycarbonyl azide + benzoic acid (65-85-0,8013-63-6) → 2,2,2-trichloroethyl-N-phenyl carbamate (42864-21-1)

Guidance literature:

With dmap; copper diacetate; In acetonitrile; at 100 ℃; for 6h; Schlenk technique; Sealed tube; Inert atmosphere;

DOI:10.1002/anie.202010974

Reference yield: 97.0%

2,2,2-trichloroethyl 3-nitro-1H-1,2,4-triazole-1-carboxylate (1001067-07-7) + aniline (62-53-3) → 2,2,2-trichloroethyl-N-phenyl carbamate (42864-21-1)

Guidance literature:

With triethylamine; In dichloromethane; at 20 ℃; for 0.0833333h;

DOI:10.1021/ol7024108

Reference yield: 74.0%

2,2,2,-trichloroethoxycarbonyl azide + phenylboronic acid (98-80-6) → 2,2,2-trichloroethyl-N-phenyl carbamate (42864-21-1)

Guidance literature:

With copper(l) chloride; In methanol; at 20 ℃; for 1h;

DOI:10.1021/jo502828r

upstream raw materials:

aniline

2,2,2-Trichloroethyl chloroformate

2,2,2-trichloroethyl 3-nitro-1H-1,2,4-triazole-1-carboxylate

O-tosyl-N-trichloroethoxycarbonylhydroxylamine

Downstream raw materials:

phenyl isocyanate

1-(N-phenylcarbamoyl)piperidine

1-hexadecyl-3-phenyl-urea

N-cyclohexyl-N'-phenylurea