Dihydrosinapic acid

Base Information

• Chemical Name: Dihydrosinapic acid
• CAS No.: 14897-78-0
• Molecular Formula: C11H14 O5
• Molecular Weight: 226.229
• Hs Code.: 2918990090
• European Community (EC) Number: 238-966-2
• UNII: ZZ1SHO4617
• DSSTox Substance ID: DTXSID10164147
• Nikkaji Number: J227.227J
• Wikidata: Q10395562
• Metabolomics Workbench ID: 49512
• Mol file: 14897-78-0.mol

Synonyms:3-(4'-hydroxyl-3',5'-dimethoxyphenyl)propionic acid;HDMPA cpd

Chemical Property of Dihydrosinapic acid

Chemical Property:

• Vapor Pressure: 2.64E-07mmHg at 25°C
• Melting Point: 100-102°C
• Boiling Point: 405.6°Cat760mmHg
• PKA: 4.72±0.10(Predicted)
• Flash Point: 158.4°C
• PSA: 75.99000
• Density: 1.258g/cm³
• LogP: 1.42660
• Storage Temp.: -20°C Freezer
• Solubility.: Chloroform (Slightly), Methanol (Slightly)
• XLogP3: 1.3
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 5
• Exact Mass: 226.08412354
• Heavy Atom Count: 16
• Complexity: 216

Purity/Quality:

97% ^*data from raw suppliers

3-(4-Hydroxy-3,5-dimethoxyphenyl)propanoicAcid ^*data from reagent suppliers

Safty Information:

• Statements: 36/37/38
• Safety Statements: 26-36/37/39

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1=CC(=CC(=C1O)OC)CCC(=O)O

Technology Process of Dihydrosinapic acid

There total 8 articles about Dihydrosinapic acid 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: 94.0%

trans-3,5-dimethoxy-4-hydroxycinnamic acid (530-59-6,7362-37-0) → dihydrosinapic acid (14897-78-0)

Guidance literature:

With palladium 10% on activated carbon; hydrogen; In methanol; at 25 ℃; under 2585.81 Torr;

DOI:10.1016/j.ejmech.2021.113498

Reference yield: 93.2%

sinapinic acid (530-59-6,7362-37-0) → dihydrosinapic acid (14897-78-0)

Guidance literature:

With palladium 10% on activated carbon; hydrogen; In methanol; at 20 ℃; for 2h; under 760.051 Torr;

DOI:10.1691/ph.2010.0654

Reference yield: 66.0%

3-(3,4,5-trimethoxyphenyl)propanoic acid (25173-72-2) → dihydrosinapic acid (14897-78-0)

Guidance literature:

With Magnesium iodide; In diethyl ether; dichloromethane; at 80 ℃; for 1h; Inert atmosphere;

DOI:10.1021/jacs.5b03084

upstream raw materials:

3-(3,5-dimethoxy-4-hydroxyphenyl)propionic acid ethyl ester

trans-3,5-dimethoxy-4-hydroxycinnamic acid

ethyl-(4'-acetoxy-3',5'-dimethoxyphenyl)-prop-2-enoate

syringic aldehyde

Downstream raw materials:

3-(3,5-dimethoxy-4-hydroxyphenyl)propionic acid methyl ester

3-(3,5-dimethoxy-4-hydroxyphenyl)propionic acid ethyl ester

4-benzyloxy-3,5-dimethoxyphenylpropionic acid

3-(4-hydroxy-3,5-dimethoxyphenyl)propan-1-ol