N-(3,4-dimethoxyphenyl)-3-oxobutanamide

Base Information

• Chemical Name: N-(3,4-dimethoxyphenyl)-3-oxobutanamide
• CAS No.: 112854-82-7
• Molecular Formula: C12H15 N O4
• Molecular Weight: 237.25
• DSSTox Substance ID: DTXSID70359299
• Wikidata: Q82140458
• Mol file: 112854-82-7.mol

Synonyms:N-(3,4-dimethoxyphenyl)-3-oxobutanamide;112854-82-7;3,4-Dimethoxy-acetoacetanilide;DTXSID70359299;AKOS000164719

Chemical Property of N-(3,4-dimethoxyphenyl)-3-oxobutanamide

Chemical Property:

• Vapor Pressure: 2.42E-07mmHg at 25°C
• Refractive Index: 1.542
• Boiling Point: 422.4°C at 760 mmHg
• Flash Point: 209.3°C
• PSA: 68.12000
• Density: 1.182g/cm³
• LogP: 2.27090
• XLogP3: 1.4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 5
• Exact Mass: 237.10010796
• Heavy Atom Count: 17
• Complexity: 280

Purity/Quality:

97% ^*data from raw suppliers

3,4-DIMETHOXY-ACETOACETANILIDE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of N-(3,4-dimethoxyphenyl)-3-oxobutanamide

There total 1 articles about N-(3,4-dimethoxyphenyl)-3-oxobutanamide 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:

ethyl acetoacetate (141-97-9) + 3,4-dimethoxyaniline (6315-89-5) → acetoacetic acid-(3,4-dimethoxy-anilide) (112854-82-7)

Guidance literature:

at 160 ℃;

DOI:10.1021/jo01186a006

Reference yield: 82.0%

10-ethyl-10H-phenothiazine-3-carbaldehyde (18413-61-1) + acetoacetic acid-(3,4-dimethoxy-anilide) (112854-82-7) + urea (57-13-6) → C28H28N4O4S

Guidance literature:

With toluene-4-sulfonic acid; In ethanol; for 12h; Reflux;

DOI:10.1039/c9nj05489h

Reference yield:

acetoacetic acid-(3,4-dimethoxy-anilide) (112854-82-7) + benzylamine (100-46-9) → C19H22N2O3 (1452145-69-5)

Guidance literature:

With tetrabutylammomium bromide; In water; at 20 ℃; for 12h;

DOI:10.1021/ol4022222

upstream raw materials:

ethyl acetoacetate

3,4-dimethoxyaniline

Downstream raw materials:

C₁₉H₂₂N₂O₃

C₃₁H₃₃N₃O₇

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