N-(2,3-dichlorophenyl)-2,2-dimethylpropanamide

Base Information

• Chemical Name: N-(2,3-dichlorophenyl)-2,2-dimethylpropanamide
• CAS No.: 168133-85-5
• Molecular Formula: C₁₁H₁₃Cl₂NO
• Molecular Weight: 246.136
• Hs Code.: 2924299090
• DSSTox Substance ID: DTXSID10385092
• Wikidata: Q82177661
• Mol file: 168133-85-5.mol

Synonyms:168133-85-5;N-(2,3-Dichlorophenyl)pivalamide;N-(2,3-dichlorophenyl)-2,2-dimethylpropanamide;2',3'-Dichloro-2,2,2-trimethylacetanilide;N1-(2,3-dichlorophenyl)-2,2-dimethylpropanamide;Propanamide, N-(2,3-dichlorophenyl)-2,2-dimethyl-;Maybridge1_006041;SCHEMBL15621420;HMS558K13;DTXSID10385092;MLDAKWSPMRWZKK-UHFFFAOYSA-N;AKOS003441713;Trimethylacetamido-2,3-dichlorobenzene;F18357;A882190;N-(2,3-Dichlorophenyl)-2,2,2-trimethylacetamide

Chemical Property of N-(2,3-dichlorophenyl)-2,2-dimethylpropanamide

Chemical Property:

• Vapor Pressure: 1.14E-05mmHg at 25°C
• Melting Point: 62 °C(Solv: ethanol (64-17-5))
• Refractive Index: 1.568
• Boiling Point: 370°Cat760mmHg
• PKA: 13.52±0.70(Predicted)
• Flash Point: 177.6°C
• PSA: 29.10000
• Density: 1.255g/cm³
• LogP: 4.05100
• XLogP3: 3.5
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 245.0374194
• Heavy Atom Count: 15
• Complexity: 237

Purity/Quality:

99% ^*data from raw suppliers

N-(2,3-Dichlorophenyl)pivalamide 97% ^*data from reagent suppliers

Safty Information:

• Safety Statements: 24/25

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)(C)C(=O)NC1=C(C(=CC=C1)Cl)Cl

Technology Process of N-(2,3-dichlorophenyl)-2,2-dimethylpropanamide

There total 2 articles about N-(2,3-dichlorophenyl)-2,2-dimethylpropanamide 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: 96.2%

→ N-(2,3-dichlorophenyl)-2,2-dimethylpropanamide (168133-85-5)

Guidance literature:

In diethyl ether; at 0 - 20 ℃; for 4h; Alkaline conditions;

Reference yield: 92.0%

pivaloyl chloride (3282-30-2) + 2,3-dichloroaniline (608-27-5) → N-(2,3-dichlorophenyl)-2,2-dimethylpropanamide (168133-85-5)

Guidance literature:

With sodium carbonate; In dichloromethane; for 1.5h; Ambient temperature;

DOI:10.1080/00397919508011420

Reference yield: 88.0%

N-methoxy-N-methylbenzamide (6919-61-5) + N-(2,3-dichlorophenyl)-2,2-dimethylpropanamide (168133-85-5) → N-(6-benzoyl-2,3-dichlorophenyl)pivalamide (1584714-88-4)

Guidance literature:

N-(2,3-dichlorophenyl)-2,2-dimethylpropanamide; With n-butyllithium; N,N,N,N,-tetramethylethylenediamine; In tert-butyl methyl ether; pentane; at -23 ℃; for 1.75h; Inert atmosphere;

N-methoxy-N-methylbenzamide; In tert-butyl methyl ether; pentane; at 20 ℃; for 0.5h;

upstream raw materials:

pivaloyl chloride

2,3-dichloroaniline

Downstream raw materials:

N-(6-benzoyl-2,3-dichlorophenyl)pivalamide

(2-amino-3,4-dichlorophenyl)(phenyl)methanone

Refernces

• 1、 -. "Preparation method of ortho-amino trifluoroacetophenone and derivatives thereof". Paragraph 0041; 0045-0048. . Retrieved 2021/11/19.