(3E)-3-[(3,4,5-trimethoxyphenyl)methylidene]oxolan-2-one

Base Information

• Chemical Name: (3E)-3-[(3,4,5-trimethoxyphenyl)methylidene]oxolan-2-one
• CAS No.: 1530-58-1
• Molecular Formula: C₁₄H₁₆O₅
• Molecular Weight: 264.278
• NSC Number: 13658
• ChEMBL ID: CHEMBL3197752
• Mol file: 1530-58-1.mol

Synonyms:MLS000737427;NSC13658;1530-58-1;CHEMBL3197752;HMS2886B21;NSC-13658;SMR000528141

Chemical Property of (3E)-3-[(3,4,5-trimethoxyphenyl)methylidene]oxolan-2-one

Chemical Property:

• Vapor Pressure: 1.17E-08mmHg at 25°C
• Boiling Point: 460.4°Cat760mmHg
• Flash Point: 207°C
• Density: 1.223g/cm³
• XLogP3: 2.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 4
• Exact Mass: 264.09977361
• Heavy Atom Count: 19
• Complexity: 338

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1=CC(=CC(=C1OC)OC)C=C2CCOC2=O
• Isomeric SMILES: COC1=CC(=CC(=C1OC)OC)/C=C/2\CCOC2=O

Technology Process of (3E)-3-[(3,4,5-trimethoxyphenyl)methylidene]oxolan-2-one

There total 3 articles about (3E)-3-[(3,4,5-trimethoxyphenyl)methylidene]oxolan-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: 59.4%

3-(triphenylphosphoranyliden)dihydro-2(3H)-furanone (34932-07-5) + 3,4,5-trimethoxy-benzaldehyde (86-81-7) → 3-(3,4,5-trimethoxy-benzylidene)-dihydro-furan-2-one (1530-58-1)

Guidance literature:

In dimethyl sulfoxide; at 80 ℃; for 20h;

DOI:10.1248/cpb.34.121

Reference yield:

4-butanolide (96-48-0) → 3-(3,4,5-trimethoxy-benzylidene)-dihydro-furan-2-one (1530-58-1)

Guidance literature:

With sodium methylate; benzene;

DOI:10.1021/jo01083a009

Reference yield:

→ 3-(3,4,5-trimethoxy-benzylidene)-dihydro-furan-2-one (1530-58-1)

Guidance literature:

3,4,5-Trimethoxy-benzaldehyd, <2-Oxo-tetrahydrofuryliden-(3)>-triphenylphosphoran (THF, Δ, 10h);

upstream raw materials:

3-(triphenylphosphoranyliden)dihydro-2(3H)-furanone

3,4,5-trimethoxy-benzaldehyde

4-butanolide

Downstream raw materials:

3-(3,4,5-trimethoxy-benzyl)-dihydro-furan-2-one