2,6-Dimethylisobutyranilide

Base Information

• Chemical Name: 2,6-Dimethylisobutyranilide
• CAS No.: 33098-76-9
• Molecular Formula: C₁₂H₁₇NO
• Molecular Weight: 191.273
• Hs Code.: 2924299090
• European Community (EC) Number: 654-393-4
• NSC Number: 165623
• UNII: C0SV5DA2ZS
• DSSTox Substance ID: DTXSID20186759
• Nikkaji Number: J53.653I
• Wikidata: Q83058141
• Mol file: 33098-76-9.mol

Synonyms:2,6-Dimethylisobutyranilide;N-(2,6-dimethylphenyl)-2-methylpropanamide;33098-76-9;2',6'-Isobutyroxylidide;2,6-Dimethyl-i-butyranilide;ISOBUTYRANILIDE, 2,6-DIMETHYL-;N-(2,6-Dimethylphenyl)isobutyramide;C0SV5DA2ZS;Propanamide, N-(2,6-dimethylphenyl)-2-methyl-;NSC 165623;BRN 2098739;NSC-165623;NSC165623;UNII-C0SV5DA2ZS;SCHEMBL12832472;DTXSID20186759;MFCD00026438;AKOS000519669;CF-0081;Propanamide,6-dimethylphenyl)-2-methyl-;LS-84389;AN-652/13572817

Chemical Property of 2,6-Dimethylisobutyranilide

Chemical Property:

• Vapor Pressure: 0.00073mmHg at 25°C
• Boiling Point: 307.3°Cat760mmHg
• Flash Point: 182°C
• PSA: 29.10000
• Density: 1.014g/cm³
• LogP: 2.97090
• XLogP3: 2.1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 191.131014166
• Heavy Atom Count: 14
• Complexity: 191

Purity/Quality:

99%min ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 2,6-Dimethylisobutyranilide

There total 2 articles about 2,6-Dimethylisobutyranilide 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:

isobutyryl chloride (79-30-1) + 2,6-dimethylaniline (87-62-7) → 2',6'-isobutyroxylidide (33098-76-9)

Guidance literature:

With N-ethyl-N,N-diisopropylamine; In dichloromethane; at 0 - 20 ℃; for 6h;

DOI:10.1002/anie.201906075

Reference yield:

→ 2',6'-isobutyroxylidide (33098-76-9)

Guidance literature:

Reference yield:

2',6'-isobutyroxylidide (33098-76-9) + methyl iodide (74-88-4) → N-(2,6-dimethylphenyl)-N-methylisobutyramide

Guidance literature:

2',6'-isobutyroxylidide; With sodium hydride; In N,N-dimethyl-formamide; mineral oil; at 0 - 20 ℃; for 0.5h; Inert atmosphere;

methyl iodide; In N,N-dimethyl-formamide; mineral oil; at 0 - 20 ℃; for 3h; Inert atmosphere;

DOI:10.1002/anie.201906075

upstream raw materials:

isobutyryl chloride

2,6-dimethylaniline

Refernces