2,5-Dihydroxycinnamic acid

Base Information

• Chemical Name: 2,5-Dihydroxycinnamic acid
• CAS No.: 38489-67-7
• Molecular Formula: C9H8O4
• Molecular Weight: 180.16
• UNII: 6EHK92QE99
• DSSTox Substance ID: DTXSID001030505
• Nikkaji Number: J135.092G,J594.724C
• Wikipedia: 2,5-Dihydroxycinnamic_acid
• Metabolomics Workbench ID: 134855
• ChEMBL ID: CHEMBL450484
• Mol file: 38489-67-7.mol

Synonyms:2,5-Dihydroxycinnamic acid;636-01-1;(E)-3-(2,5-Dihydroxyphenyl)acrylic acid;38489-67-7;3-(2,5-dihydroxyphenyl)acrylic acid;(2E)-3-(2,5-Dihydroxyphenyl)acrylic acid;(E)-3-(2,5-dihydroxyphenyl)prop-2-enoic Acid;3-(2,5-dihydroxyphenyl)prop-2-enoic acid;6EHK92QE99;CHEMBL450484;2,5-dihydroxystyrylcarbamic acid;2-Propenoic acid, 3-(2,5-dihydroxyphenyl)-, (2E)-;grevillic acid;2,5-DIHYDROXYCINNAMICACID;2,5-Dihydroxyzimtsaure;UNII-6EHK92QE99;(2E)-3-(2,5-dihydroxyphenyl)prop-2-enoic acid;SCHEMBL344638;(e)-2,5-dihydroxycinnamic acid;trans-2,5-Dihydroxycinnamic acid;DTXSID001030505;3-(2,5-dihydroxyphenyl)acrylicacid;BDBM50025476;MFCD00075834;AKOS006345761;3-(2,5-Dihydroxyphenyl)propenoic acid;CINNAMIC ACID, 2,5-DIHYDROXY-;TS-00197;CS-0266321;EN300-1849168;(2E)-3-(2,5-Dihydroxyphenyl)-2-propenoic acid;3-(2,5-DIHYDROXYPHENYL)-2-PROPENOIC ACID;AR-683/43306427

Chemical Property of 2,5-Dihydroxycinnamic acid

Chemical Property:

• Vapor Pressure: 3.55E-09mmHg at 25°C
• Boiling Point: 457.8°Cat760mmHg
• Flash Point: 244.8°C
• Density: 1.478g/cm³
• XLogP3: 1.2
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 180.04225873
• Heavy Atom Count: 13
• Complexity: 212

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=C(C=C1O)C=CC(=O)O)O
• Isomeric SMILES: C1=CC(=C(C=C1O)/C=C/C(=O)O)O

Technology Process of 2,5-Dihydroxycinnamic acid

There total 1 articles about 2,5-Dihydroxycinnamic 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:

2,5-Dihydroxybenzaldehyde (1194-98-5) + (carbethoxymethyl)triphenylphosphonium bromide (1530-45-6) → 2,5-dihydroxycinnamate (38489-67-7)

Guidance literature:

With sodium hydroxide; potassium carbonate; Yield given. Multistep reaction; 1.) methanol, 3 h;

Reference yield:

2,5-dihydroxycinnamate (38489-67-7) → 2-ethylhydroquinone (2349-70-4)

Guidance literature:

Multi-step reaction with 2 steps

1: 200 - 220 °C / 0.01 Torr

2: ethyl acetate; platinum / Hydrogenation

With ethyl acetate; platinum;

DOI:10.1021/ja01170a010

Reference yield:

2,5-dihydroxycinnamate (38489-67-7) → 2-vinyl-1,4-dihydroxybenzene (5286-51-1)

Guidance literature:

at 200 - 220 ℃; under 0.01 Torr;

DOI:10.1021/ja01170a010

upstream raw materials:

2,5-Dihydroxybenzaldehyde

(carbethoxymethyl)triphenylphosphonium bromide

Downstream raw materials:

2-vinyl-1,4-dihydroxybenzene

methylammonium carbonate

Acetic acid 4-acetoxy-2-((E)-2-azidocarbonyl-vinyl)-phenyl ester

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