N-(3-hydroxyphenyl)-2-methylpropanamide

Base Information

• Chemical Name: N-(3-hydroxyphenyl)-2-methylpropanamide
• CAS No.: 55791-88-3
• Molecular Formula: C10H13NO2
• Molecular Weight: 179.219
• NSC Number: 222525
• DSSTox Substance ID: DTXSID30971173
• Nikkaji Number: J92.612D
• Wikidata: Q82954604
• Mol file: 55791-88-3.mol

Synonyms:N-(3-hydroxyphenyl)-2-methylpropanamide;55791-88-3;3'-Hydroxyisobutyranilide;Propionanilide, 3'-hydroxy-2-methyl-;N-(3-Hydroxyphenyl)-2-methylpropionamide;BRN 2092395;NSC222525;Propanamide, N-(3-hydroxyphenyl)-2-methyl-;WLN: QR CMVY1&1;SCHEMBL2384797;DTXSID30971173;RGSXNBKIMXWTIA-UHFFFAOYSA-N;STK297676;AKOS005429298;NSC 222525;NSC-222525;CS-0260761;EN300-75784;N-(3-Hydroxyphenyl)-2-methylpropanimidic acid;Z335808218

Chemical Property of N-(3-hydroxyphenyl)-2-methylpropanamide

Chemical Property:

• Vapor Pressure: 2.16E-06mmHg at 25°C
• Boiling Point: 382.4°Cat760mmHg
• Flash Point: 185°C
• PSA: 49.33000
• Density: 1.161g/cm³
• LogP: 2.05970
• XLogP3: 1.8
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 179.094628657
• Heavy Atom Count: 13
• Complexity: 180

Purity/Quality:

99% ^*data from raw suppliers

N-(3-hydroxyphenyl)-2-methylpropanamide ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of N-(3-hydroxyphenyl)-2-methylpropanamide

There total 2 articles about N-(3-hydroxyphenyl)-2-methylpropanamide 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: 72.0%

3-isobutyramidophenylboronic acid (874459-76-4) → N-(3-hydroxyphenyl)isobutyramide (55791-88-3)

Guidance literature:

With copper(ll) sulfate pentahydrate; ellagic acid; In methanol; at 60 ℃; for 8h; under 760.051 Torr; Green chemistry;

DOI:10.1016/j.molcata.2014.09.016

Reference yield:

→ N-(3-hydroxyphenyl)isobutyramide (55791-88-3)

Guidance literature:

m-Aminophenol, Isobutyrylchlorid;

Reference yield:

N-(3-hydroxyphenyl)isobutyramide (55791-88-3) + methyl isocyanate (624-83-9) → 2-methyl-3'-(methylcarbamoyloxy)propionanilide (17788-12-4)

Guidance literature:

With triethylamine; In N-methyl-acetamide; methanol;

upstream raw materials:

3-isobutyramidophenylboronic acid

Downstream raw materials:

3'-(dimethylcarbamoyloxy)-2-methylpropionanilide

2-methyl-3'-(methylcarbamoyloxy)propionanilide

3'-(diphenylcarbamoyloxy)-2-methylpropionanilide

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