Acetamide, N-(4-hydroxy-3-methylphenyl)-

Base Information

• Chemical Name: Acetamide, N-(4-hydroxy-3-methylphenyl)-
• CAS No.: 16375-90-9
• Molecular Formula: C9H11 N O2
• Molecular Weight: 165.192
• Hs Code.: 2924299090
• NSC Number: 16600
• UNII: SD40BP2DRF
• DSSTox Substance ID: DTXSID4066040
• Nikkaji Number: J421.963E
• Wikidata: Q81992614
• ChEMBL ID: CHEMBL48323
• Mol file: 16375-90-9.mol

Synonyms:3-methylacetaminophen;3-methylparacetamol

Chemical Property of Acetamide, N-(4-hydroxy-3-methylphenyl)-

Chemical Property:

• Vapor Pressure: 5.89E-06mmHg at 25°C
• Melting Point: 181-183 °C
• Refractive Index: 1.5270 (estimate)
• Boiling Point: 368.7°C at 760 mmHg
• PKA: 10.26±0.18(Predicted)
• Flash Point: 176.8°C
• PSA: 49.33000
• Density: 1.203g/cm³
• LogP: 1.73200
• Storage Temp.: Sealed in dry,Room Temperature
• Water Solubility.: 4.189g/L(25 oC)
• XLogP3: 0.8
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 165.078978594
• Heavy Atom Count: 12
• Complexity: 170

Purity/Quality:

97% ^*data from raw suppliers

N-(4-hydroxy-3-methylphenyl)acetamide 97% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of Acetamide, N-(4-hydroxy-3-methylphenyl)-

There total 17 articles about Acetamide, N-(4-hydroxy-3-methylphenyl)- 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: 84.0%

4-amino-2-methylphenol (2835-96-3) + acetic anhydride (108-24-7) → 4-acetamido-2-methylphenol (16375-90-9)

Guidance literature:

In water; at 60 - 65 ℃; for 0.5h;

DOI:10.1002/jhet.561

Reference yield: 79.0%

acetamide (60-35-5) + 4-amino-2-methylphenol (2835-96-3) → 4-acetamido-2-methylphenol (16375-90-9)

Guidance literature:

acetamide; With thionyl chloride; In diethyl ether;

4-amino-2-methylphenol; for 0.00555556h; microwave irradiation;

Reference yield: 79.0%

ortho-cresol (95-48-7,77504-84-8) + acetonitrile (75-05-8,26809-02-9) → 4-acetamido-2-methylphenol (16375-90-9)

Guidance literature:

With tetra-n-butylammonium hexafluoridophosphate; at 20 ℃; for 3h; regioselective reaction; Electrolysis; Green chemistry;

DOI:10.1021/acs.orglett.2c00439

upstream raw materials:

4-amino-2-methylphenol

acetic anhydride

N-(pivaloyloxy)-p-acetotoluidide

3-Methylacetanilide

Downstream raw materials:

4-methoxy-3,N,N-trimethyl-aniline

N-(4-hydroxy-3-methyl-cyclohexyl)-acetamide

(4-acetylamino-2-methyl-phenoxy)-acetic acid

N-(4-methoxy-3-methylphenyl)acetamide