Benzeneacetamide, 4-hydroxy-3-methoxy-N-nonyl-

Base Information

• Chemical Name: Benzeneacetamide, 4-hydroxy-3-methoxy-N-nonyl-
• CAS No.: 107512-63-0
• Molecular Formula: C₁₈H₂₉NO₃
• Molecular Weight: 307.433
• DSSTox Substance ID: DTXSID60148073
• Nikkaji Number: J562.190I
• Wikidata: Q83013521
• ChEMBL ID: CHEMBL314262
• Mol file: 107512-63-0.mol

Synonyms:4-Hydroxy-3-methoxy-N-nonylbenzeneacetamide;Benzeneacetamide, 4-hydroxy-3-methoxy-N-nonyl-;CHEMBL314262;107512-63-0;DTXSID60148073;BDBM50388082;LS-28554;N-Nonyl-4-hydroxy-3-methoxybenzeneacetamide

Chemical Property of Benzeneacetamide, 4-hydroxy-3-methoxy-N-nonyl-

Chemical Property:

• Vapor Pressure: 1.19E-10mmHg at 25°C
• Boiling Point: 500.7°C at 760 mmHg
• Flash Point: 256.6°C
• Density: 1.027g/cm³
• XLogP3: 4.7
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 11
• Exact Mass: 307.21474379
• Heavy Atom Count: 22
• Complexity: 296

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of Benzeneacetamide, 4-hydroxy-3-methoxy-N-nonyl-

There total 5 articles about Benzeneacetamide, 4-hydroxy-3-methoxy-N-nonyl- 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:

Acetic acid 2-methoxy-4-nonylcarbamoylmethyl-phenyl ester → 2-(4-Hydroxy-3-methoxy-phenyl)-N-nonyl-acetamide (107512-63-0)

Guidance literature:

With sodium hydroxide; In methanol; for 3h; Yield given; Ambient temperature;

DOI:10.1021/jm00070a002

Reference yield:

Homovanillic acid (306-08-1) → 2-(4-Hydroxy-3-methoxy-phenyl)-N-nonyl-acetamide (107512-63-0)

Guidance literature:

Multi-step reaction with 4 steps

1: 79 percent / H₂SO₄ / Ambient temperature

2: SOCl₂ / Heating

3: benzene; diethyl ether / 3 h / 0 - 20 °C

4: aq. NaOH / methanol / 3 h / Ambient temperature

With sodium hydroxide; thionyl chloride; sulfuric acid; In methanol; diethyl ether; benzene;

DOI:10.1021/jm00070a002

Reference yield:

2-(4-acetoxy-3-methoxyphenyl)acetic acid (5447-38-1) → 2-(4-Hydroxy-3-methoxy-phenyl)-N-nonyl-acetamide (107512-63-0)

Guidance literature:

Multi-step reaction with 3 steps

1: SOCl₂ / Heating

2: benzene; diethyl ether / 3 h / 0 - 20 °C

3: aq. NaOH / methanol / 3 h / Ambient temperature

With sodium hydroxide; thionyl chloride; In methanol; diethyl ether; benzene;

DOI:10.1021/jm00070a002

upstream raw materials:

Homovanillic acid

2-(4-acetoxy-3-methoxyphenyl)acetic acid

4-acetoxy-3-methoxyphenylacetyl chloride

n-Nonylamin