3-Hydroxy-4-methoxybenzenepropanoic acid

Base Information

• Chemical Name: 3-Hydroxy-4-methoxybenzenepropanoic acid
• CAS No.: 1135-15-5
• Molecular Formula: C10H12 O4
• Molecular Weight: 196.203
• Hs Code.: 2918990090
• European Community (EC) Number: 683-144-2
• UNII: 4AC7M5U2UE
• DSSTox Substance ID: DTXSID70150425
• Nikkaji Number: J1.434.596E
• Wikidata: Q27259341
• ChEMBL ID: CHEMBL338727
• Mol file: 1135-15-5.mol

Synonyms:1135-15-5;3-(3-hydroxy-4-methoxyphenyl)propanoic acid;3-Hydroxy-4-methoxybenzenepropanoic acid;Dihydroisoferulic acid;3-(3-HYDROXY-4-METHOXYPHENYL)PROPIONIC ACID;Hydroisoferulic Acid;Benzenepropanoic acid, 3-hydroxy-4-methoxy-;3-Hydroxy-4-methoxy-benzenepropanoic Acid;UNII-4AC7M5U2UE;3-(3-Hydroxy-4-methoxyphenyl)propionic Acid (Dihydroisoferulic Acid);4AC7M5U2UE;3-(3-hydroxy-4-methoxyphenyl) propionic acid;SCHEMBL490726;CHEMBL338727;DTXSID70150425;CHEBI:189726;ZVIJTQFTLXXGJA-UHFFFAOYSA-N;MFCD01444519;AKOS000190923;CCG-301790;3-Hydroxy-4-methoxy-benzenepropanoicAcid;CS-0216740;FT-0669759;EN300-56998;3-(3-Hydroxy-4-methoxy-phenyl)-propionic acid;A50644;beta-(3-Hydroxy-4-methoxyphenyl)propionic Acid;HYDROCINNAMIC ACID, 3-HYDROXY-4-METHOXY-;Q27259341;.BETA.-(3-HYDROXY-4-METHOXYPHENYL)PROPIONIC ACID;3-(3-hydroxy-4-methoxyphenyl)propionic acid, AldrichCPR;Z317038026

Chemical Property of 3-Hydroxy-4-methoxybenzenepropanoic acid

Chemical Property:

• Vapor Pressure: 2.05E-06mmHg at 25°C
• Melting Point: 145-147°C
• Boiling Point: 378.8°Cat760mmHg
• PKA: 4.73±0.10(Predicted)
• Flash Point: 152.1°C
• PSA: 66.76000
• Density: 1.259g/cm³
• LogP: 1.41800
• Storage Temp.: -20°C Freezer
• Solubility.: Chloroform (Slightly), DMSO (Slightly), Methanol (Slightly)
• XLogP3: 0.7
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 4
• Exact Mass: 196.07355886
• Heavy Atom Count: 14
• Complexity: 193

Purity/Quality:

98%,99%, ^*data from raw suppliers

3-(3-Hydroxy-4-methoxyphenyl)propionicAcid(DihydroisoferulicAcid) ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xn
• Statements: 22

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1=C(C=C(C=C1)CCC(=O)O)O
• Uses: 3-(3-Hydroxy-4-methoxyphenyl)propionic Acid is a useful synthetic intermediate in the preparation of pharmaceuticals.

Technology Process of 3-Hydroxy-4-methoxybenzenepropanoic acid

There total 13 articles about 3-Hydroxy-4-methoxybenzenepropanoic 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: 100.0%

isoferulic acid (537-73-5,1135-16-6,25522-33-2) → dihydroisoferulic acid (1135-15-5)

Guidance literature:

With hydrogen; palladium on activated charcoal; In methanol; ethyl acetate; for 5h; under 2172.02 Torr;

DOI:10.1016/S0968-0896(03)00394-8

Reference yield: 98.0%

3-(3-hydroxy-4-methoxyphenyl)-propionic acid methyl ester (129150-61-4) → dihydroisoferulic acid (1135-15-5)

Guidance literature:

With lithium hydroxide; In tetrahydrofuran; at 20 ℃; for 16h;

DOI:10.1002/anie.201302530

Reference yield: 95.0%

trans-3-hydroxy-4-methoxycinnamic acid (537-73-5) → dihydroisoferulic acid (1135-15-5)

Guidance literature:

With ferrous ammonium sulphate hexahydrate; isopropyl β-D-thiogalactopyranoside; In aq. phosphate buffer; at 37 ℃; for 48h;

DOI:10.1002/anie.201403148

upstream raw materials:

isoferulic acid

trans-3-hydroxy-4-methoxycinnamic acid

3-(3-hydroxy-4-methoxyphenyl)-propionic acid methyl ester

water

Downstream raw materials:

3-(3-hydroxy-4-methoxyphenyl)-propionaldehyde

3'-(4'''-bromophenyl)-2'Z-propenyl 3-(3''-hydroxy-4''-methoxyphenyl)propanoate

3'-(3'''-nitro-4'''-fluorophenyl)-2'Z-propenyl 3-(3''-hydroxy-4''-methoxyphenyl)propanoate

3'-(4'''-bromophenyl)propanyl 3-(3''-hydroxy-4''-methoxyphenyl)propanoate