4-(2,4-Dimethoxyphenyl)but-3-en-2-one

Base Information

• Chemical Name: 4-(2,4-Dimethoxyphenyl)but-3-en-2-one
• CAS No.: 16831-05-3
• Molecular Formula: C12H14 O3
• Molecular Weight: 206.241
• NSC Number: 281651
• Nikkaji Number: J1.755.027F,J1.911.627A
• ChEMBL ID: CHEMBL104812

Synonyms:4-(2,4-dimethoxyphenyl)but-3-en-2-one;NSC281651;(E)-4-(2,4-dimethoxyphenyl)but-3-en-2-one;CHEMBL104812;SCHEMBL10467161;SCHEMBL10467163;ZUTATYBHSGKFPX-SNAWJCMRSA-N;NSC-281651;118709-63-0;16831-05-3;4-(2,4-Dimethoxyphenyl)-3-butene-2-one;CS-0274643;(E)-4-(2,4-Dimethoxyphenyl)-3-butene-2-one;EN300-1859316

Chemical Property of 4-(2,4-Dimethoxyphenyl)but-3-en-2-one

Chemical Property:

• Vapor Pressure: 1.88E-05mmHg at 25°C
• Melting Point: 62 °C(Solv: ligroine (8032-32-4))
• Boiling Point: 362.9°C at 760 mmHg
• Flash Point: 164.6°C
• PSA: 35.53000
• Density: 1.073g/cm³
• LogP: 2.30600
• XLogP3: 2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 206.094294304
• Heavy Atom Count: 15
• Complexity: 235

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 4-(2,4-Dimethoxyphenyl)but-3-en-2-one

There total 9 articles about 4-(2,4-Dimethoxyphenyl)but-3-en-2-one 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: 95.0%

2,4-Dimethoxybenzaldehyde (613-45-6) + acetone (67-64-1) → (E)-4-(2,4-dimethoxyphenyl)but-3-en-2-one (16831-05-3,118709-63-0)

Guidance literature:

With sodium hydroxide; In water; at 4 - 20 ℃; for 2h; Inert atmosphere;

DOI:10.2174/157018012799079842

Reference yield: 91.0%

2,4-Dimethoxybenzaldehyde (613-45-6) + 1-triphenylphosphoranylidene-2-propanone (1439-36-7) → (E)-4-(2,4-dimethoxyphenyl)but-3-en-2-one (16831-05-3,118709-63-0)

Guidance literature:

In toluene; for 24h; Reflux; Inert atmosphere;

DOI:10.1021/acs.orglett.6b01795

Reference yield: 81.0%

2,4-Dimethoxybenzaldehyde (613-45-6) + acetone (67-64-1) → 4-(2,4-dimethoxyphenyl)but-3-en-2-one (16831-05-3)

Guidance literature:

With sodium hydroxide; In methanol; water;

DOI:10.1016/j.ejmech.2010.08.049

upstream raw materials:

2,4-Dimethoxybenzaldehyde

acetone

(E)-4-chloro-3-buten-2-one

1,3-Dimethoxybenzene

Downstream raw materials:

5-(1-(2,4-dimethoxyphenyl)-3-oxobutyl)furan-2(5H)-one

(S)-tert-butyl 2-((S)-1-(2,4-dimethoxyphenyl)-3-oxobutyl)-5-oxo-2,5-dihydro-1H-pyrrole-1-carboxylate

4-(2,4-dimethoxyphenyl)butan-2-one

6-(2,4-dimethoxyphenyl)-4-methyl-2,10-diphenyl-2,3-diazaspiro[4.5]dec-3-ene-1,8-dione

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