2-(3,4-Dimethoxyphenyl)acetamide

Base Information

• Chemical Name: 2-(3,4-Dimethoxyphenyl)acetamide
• CAS No.: 5663-56-9
• Molecular Formula: C10H13NO3
• Molecular Weight: 195.218
• Hs Code.: 2924299090
• European Community (EC) Number: 227-119-2
• NSC Number: 73172
• UNII: X4OBB6GM5O
• DSSTox Substance ID: DTXSID30205203
• Nikkaji Number: J127.308F
• Wikidata: Q72468206
• ChEMBL ID: CHEMBL1979926
• Mol file: 5663-56-9.mol

Synonyms:3,4-dimethoxyphenylacetamide

Chemical Property of 2-(3,4-Dimethoxyphenyl)acetamide

Chemical Property:

• Vapor Pressure: 7.77E-06mmHg at 25°C
• Melting Point: 170-171℃
• Refractive Index: 1.528
• Boiling Point: 375.5 °C at 760 mmHg
• PKA: 16.03±0.40(Predicted)
• Flash Point: 200.2 °C
• PSA: 61.55000
• Density: 1.141 g/cm³
• LogP: 1.43190
• Storage Temp.: 2-8°C
• XLogP3: 0.3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 195.08954328
• Heavy Atom Count: 14
• Complexity: 196

Purity/Quality:

99% ^*data from raw suppliers

2-(3,4-Dimethoxyphenyl)acetamide ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xn
• Hazard Codes: Xn
• Statements: 22

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1=C(C=C(C=C1)CC(=O)N)OC

Technology Process of 2-(3,4-Dimethoxyphenyl)acetamide

There total 12 articles about 2-(3,4-Dimethoxyphenyl)acetamide 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: 95.6%

(3,4-Dimethoxyphenyl)acetic acid (93-40-3) → 2-(3,4-dimethoxyphenyl)acetamide (5663-56-9)

Guidance literature:

(3,4-Dimethoxyphenyl)acetic acid; With thionyl chloride; for 1h; Reflux;

With ammonium hydroxide; at 0 ℃; for 0.5h;

Reference yield: 94.0%

3,4-dimethoxyphenylacetonitrile (93-17-4) → 2-(3,4-dimethoxyphenyl)acetamide (5663-56-9)

Guidance literature:

With potassium hydroxide; In tert-butyl alcohol; for 1h; Reagent/catalyst; Solvent; Reflux;

Reference yield: 86.0%

3,4-dimethoxyphenylacetaldehyde (5703-21-9) → 2-(3,4-dimethoxyphenyl)acetamide (5663-56-9)

Guidance literature:

With tert.-butylhydroperoxide; titanium superoxide; saccharin; In 1,4-dioxane; hexane; at 90 ℃; for 1h; Green chemistry;

DOI:10.1039/c9ra10413e

upstream raw materials:

3,4-dimethoxyphenylacetonitrile

methyl (3,4-dimethoxyphenyl)acetate

ethyl 3,4-dimethoxyphenylacetate

(3,4-Dimethoxyphenyl)acetic acid

Downstream raw materials:

3,4-dimethoxy-N-hydroxymethylphenylacetamide

(3,4-Dimethoxyphenyl)acetic acid

(2-bromo-4,5-dimethoxy-phenyl)-acetic acid amide

(4,5-dimethoxy-2-nitro-phenyl)-acetic acid amide