3',4'-Dichloropivalanilide

Base Information

• Chemical Name: 3',4'-Dichloropivalanilide
• CAS No.: 7160-22-7
• Molecular Formula: C11H13Cl2NO
• Molecular Weight: 246.136
• Hs Code.: 2924299090
• European Community (EC) Number: 659-313-1
• DSSTox Substance ID: DTXSID20221836
• Nikkaji Number: J246.248F
• Wikidata: Q83099836
• Mol file: 7160-22-7.mol

Synonyms:N-(3,4-Dichlorophenyl)pivalamide;7160-22-7;3',4'-Dichloropivalanilide;N-(3,4-Dichlorophenyl)-2,2-dimethylpropanamide;3,4-dichloropivalanilide;N-(3,4-dichlorophenyl)2,2-dimethyl-propionamide;Propanamide,N-(3,4-dichlorophenyl)-2,2-dimethyl-;SCHEMBL334142;JHICC03011;DTXSID20221836;N-pivaloyl 3,4-dichloro aniline;MFCD00043462;STK980499;AKOS002260617;DS-6635;N-(3,4-dichlorophenyl)trimethylacetamide;AM804268;CS-0038169;FT-0614261;n-(3,4dichlorophenyl)-2,2-dimethyl-propionamide;N-(3,4-dichlorophenyl)-2,2-dimethyl-propionamide;3',4'-DICHLORO-2,2-DIMETHYLPROPIONANILIDE;N-(3,4-Dichloro-phenyl)-2,2-dimethyl-propionamide;N-(3,4-Dichlorophenyl)-2,2-dimethylpropanamide #

Chemical Property of 3',4'-Dichloropivalanilide

Chemical Property:

• Boiling Point: 377.1 °C at 760 mmHg
• Flash Point: 181.9 °C
• PSA: 29.10000
• Density: 1.255 g/cm³
• LogP: 4.05100
• Storage Temp.: Sealed in dry,Room Temperature
• XLogP3: 3.9
• 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-(3,4-Dichlorophenyl)-2,2-dimethylpropanamide ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 3',4'-Dichloropivalanilide

There total 2 articles about 3',4'-Dichloropivalanilide 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:

pivaloyl chloride (3282-30-2) + m,p-dichloroaniline (95-76-1) → N-(3,4-dichlorophenyl)2,2-dimethyl-propionamide (7160-22-7)

Guidance literature:

With aq NaOH; In methanol; water;

Reference yield:

→ N-(3,4-dichlorophenyl)2,2-dimethyl-propionamide (7160-22-7)

Guidance literature:

Trimethylacetylchlorid, 3,4-Dichlor-anilin in Bzl.;

DOI:10.1021/jo01045a027

Reference yield: 98.0%

N-(3,4-dichlorophenyl)2,2-dimethyl-propionamide (7160-22-7) + pyrographite (7440-44-0) → 2-tert-butyl-6-chloro-benzooxazole-7-sulfonyl chloride (361392-60-1)

Guidance literature:

With sulfuryl dichloride; sulfur dioxide; In tetrahydrofuran; hexane;

upstream raw materials:

pivaloyl chloride

m,p-dichloroaniline

Downstream raw materials:

2-tert-butyl-6-chloro-benzooxazole-7-sulfonyl chloride

6-chloro-2-(1,1-dimethylethyl)-1,3-benzoxazole-7-thiol

Refernces

• 1、 Kathiravan, Subban,Nicholls, Ian A.. "Rhodium(III)-catalysed, redox-neutral C(sp2)-H alkenylation using pivalimide as a directing group with internal alkynes". supporting information. p. 1 - 4. Retrieved 2016/12/23.
• 2、 -. "METHOD OF TREATMENT". Page/Page column 15-16. . Retrieved 2009/04/25.