3-(3,4-Dimethoxyphenyl)-1-(3-hydroxyphenyl)propan-1-one

Base Information

• Chemical Name: 3-(3,4-Dimethoxyphenyl)-1-(3-hydroxyphenyl)propan-1-one
• CAS No.: 178445-83-5
• Molecular Formula: C17H18 O4
• Molecular Weight: 286.328
• Hs Code.: 2914509090
• DSSTox Substance ID: DTXSID10378005
• Wikidata: Q82167429
• ChEMBL ID: CHEMBL4079722
• Mol file: 178445-83-5.mol

Synonyms:178445-83-5;3-(3,4-dimethoxyphenyl)-1-(3-hydroxyphenyl)propan-1-one;3-(3,4-dimethoxyphenyl)-1-(3-hydroxyphenyl)-1-propanone;MFCD06245367;1-Propanone,3-(3,4-dimethoxyphenyl)-1-(3-hydroxyphenyl)-;SCHEMBL498990;CHEMBL4079722;DTXSID10378005;FHRRNHCFBUDADJ-UHFFFAOYSA-N;1-Propanone, 3-(3,4-dimethoxyphenyl)-1-(3-hydroxyphenyl)-;AKOS005257468;AM803376;AS-70395;CS-0126652;FT-0729661;A812370;COC1=C(OC)C=C(CCC(=O)C2=CC(O)=CC=C2)C=C1;3-(3,4-Dimethoxyphenyl)-1-(3-hydroxyphenyl)-1-propenone

Chemical Property of 3-(3,4-Dimethoxyphenyl)-1-(3-hydroxyphenyl)propan-1-one

Chemical Property:

• Vapor Pressure: 8.41E-10mmHg at 25°C
• Boiling Point: 479.1°Cat760mmHg
• PKA: 9.12±0.10(Predicted)
• Flash Point: 175.8°C
• PSA: 55.76000
• Density: 1.17g/cm³
• LogP: 3.22490
• Storage Temp.: Sealed in dry,Room Temperature
• XLogP3: 3.1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 6
• Exact Mass: 286.12050905
• Heavy Atom Count: 21
• Complexity: 331

Purity/Quality:

97% ^*data from raw suppliers

3-(3,4-Dimethoxyphenyl)-1-(3-hydroxyphenyl)-1-propanone 95% ^*data from reagent suppliers

Safty Information:

• Hazard Codes: F

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1=C(C=C(C=C1)CCC(=O)C2=CC(=CC=C2)O)OC

Technology Process of 3-(3,4-Dimethoxyphenyl)-1-(3-hydroxyphenyl)propan-1-one

There total 6 articles about 3-(3,4-Dimethoxyphenyl)-1-(3-hydroxyphenyl)propan-1-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: 86.0%

(E)-1-(3,4-dimethoxyphenyl)-3-(3-hydroxyphenyl)prop-2-en-1-one (178445-80-2) → 3-(3,4-dimethoxyphenyl)-1-(3-hydroxyphenyl)-1-propanone (178445-83-5)

Guidance literature:

With ammonium formate; 5%-palladium/activated carbon; In methanol; at 55 ℃; for 3.5h; Inert atmosphere;

Reference yield: 85.0%

3,4-dimethoxy-3’-hydroxychalcone (215168-57-3) → 3-(3,4-dimethoxyphenyl)-1-(3-hydroxyphenyl)-1-propanone (178445-83-5)

Guidance literature:

With palladium 10% on activated carbon; ammonium formate; In methanol; at 55 ℃; for 1.5h;

Reference yield: 81.0%

(E)-3-(3,4-dimethoxyphenyl)-1-(4-hydroxyphenyl)prop-2-en-1-one (66281-70-7) → 3-(3,4-dimethoxyphenyl)-1-(3-hydroxyphenyl)-1-propanone (178445-83-5)

Guidance literature:

With ammonium chloride; zinc; In tetrahydrofuran; methanol; for 3h; Inert atmosphere;

DOI:10.1002/anie.202017352

upstream raw materials:

(E)-1-(3,4-dimethoxyphenyl)-3-(3-hydroxyphenyl)prop-2-en-1-one

3-Hydroxyacetophenone

3,4-dimethoxy-benzaldehyde

3,4-dimethoxy-3’-hydroxychalcone

Downstream raw materials:

3-(3,4-dimethoxy-phenyl)-1-{3-[2-(2-{3-[3-(3,4-dimethoxy-phenyl)-propionyl]-phenoxy}-ethoxy)-ethoxy]-phenyl}-propan-1-one

2[[3-(3,4-dimethyoxyphenyl)-1-oxopropyl]phenoxy]acetic acid 1,1-dimethylester

3-(3,4-dimethoxy-phenyl)-1-(3-{2-[2-(2-{3-[3-(3,4-dimethoxy-phenyl)-propionyl]-phenoxy}-ethoxy)-ethoxy]-ethoxy}-phenyl)-propan-1-one

tert-butyl 2-{3-[3-(3,4-dimethoxyphenyl)propane]phenoxy}ethylcarbamate