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

Base Information

• Chemical Name: 4-methyl-N-(2,2,2-trichloro-1-hydroxyethyl)benzamide
• CAS No.: 63499-60-5
• Molecular Formula: C10H10Cl3NO2
• Molecular Weight: 282.554
• DSSTox Substance ID: DTXSID90392087
• Nikkaji Number: J1.511.348K
• ChEMBL ID: CHEMBL1588017

Synonyms:4-methyl-N-(2,2,2-trichloro-1-hydroxyethyl)benzamide;63499-60-5;Benzamide, 4-methyl-N-(2,2,2-trichloro-1-hydroxyethyl)-;MLS000722180;SCHEMBL4679490;CHEMBL1588017;DTXSID90392087;ZRESQQPBIQLACV-UHFFFAOYSA-N;HMS2560O11;AKOS002662695;AKOS016042809;SMR000235885;SR-01000004746;SR-01000004746-1;F0020-0740;N-(1-Hydroxy-2,2,2-trichloroethyl)-4-methylbenzamide

Chemical Property of 4-methyl-N-(2,2,2-trichloro-1-hydroxyethyl)benzamide

Chemical Property:

• PSA: 49.33000
• LogP: 2.80430
• XLogP3: 2.9
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 280.977712
• Heavy Atom Count: 16
• Complexity: 247

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC=C(C=C1)C(=O)NC(C(Cl)(Cl)Cl)O

Technology Process of 4-methyl-N-(2,2,2-trichloro-1-hydroxyethyl)benzamide

There total 4 articles about 4-methyl-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: 92.0%

chloral hydrate (302-17-0) + para-methylbenzamide (619-55-6) → N-(2,2,2-trichloro-1-hydroxyethyl)-4-methylbenzamide (63499-60-5)

Guidance literature:

at 90 - 100 ℃;

DOI:10.1016/S0040-4020(01)00434-3

Reference yield:

chloral (75-87-6) + para-methylbenzamide (619-55-6) → N-(2,2,2-trichloro-1-hydroxyethyl)-4-methylbenzamide (63499-60-5)

Guidance literature:

With sulfuric acid; at 100 - 110 ℃; for 1h;

DOI:10.1080/00397911.2011.571356

Reference yield:

chloral hydrate (302-17-0) → N-(2,2,2-trichloro-1-hydroxyethyl)-4-methylbenzamide (63499-60-5)

Guidance literature:

upstream raw materials:

chloral hydrate

para-methylbenzamide

chloral

Downstream raw materials:

N-(1,2,2,2-tetrachloroethyl)-4-methylbenzamide

N-(2,2-dichloro-1-cyanovinyl)-4-methylbenzamide

N-(1-benzylsulfanyl-2,2-dichloroethyl)-4-methylbenzamide

4-benzylsulfanyl-2-(4-methylphenyl)-1,3-thiazole

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