4-Hydroxyphthalic acid

Base Information

• Chemical Name: 4-Hydroxyphthalic acid
• CAS No.: 610-35-5
• Molecular Formula: C8H6O5
• Molecular Weight: 182.133
• Hs Code.: 29182900
• European Community (EC) Number: 210-221-6
• DSSTox Substance ID: DTXSID8060585
• Nikkaji Number: J27.657J
• Wikidata: Q27103216
• Metabolomics Workbench ID: 51383
• Mol file: 610-35-5.mol

Synonyms:4-Hydroxyphthalic acid;610-35-5;1,2-Benzenedicarboxylic acid, 4-hydroxy-;4-hydroxybenzene-1,2-dicarboxylic acid;4-hydroxy-phthalic acid;4-Hydroxy-1,2-benzenedicarboxylic acid;4-HYDROXYPHTHALATE;MFCD00013984;EINECS 210-221-6;3,4-Dicarboxyphenol;4-Hydroxyphthalicacid;Oprea1_621275;SCHEMBL177949;DTXSID8060585;CHEBI:27600;BCP18646;CS-D0572;AKOS000278154;SB37917;AC-14543;DS-15305;SY030115;FT-0618739;H0609;4-Hydroxy Phthalic Acid 100 ng/ml in Water;C06680;EN300-105130;A833015;W-105208;Q27103216;GJS

Chemical Property of 4-Hydroxyphthalic acid

Chemical Property:

• Appearance/Colour: off-white to white powder
• Vapor Pressure: 1.42E-09mmHg at 25°C
• Melting Point: 191-194 °C
• Refractive Index: 1.4330 (estimate)
• Boiling Point: 468.3 °C at 760 mmHg
• PKA: 3.13±0.10(Predicted)
• Flash Point: 251.2 °C
• PSA: 94.83000
• Density: 1.612 g/cm³
• LogP: 0.78860
• Storage Temp.: Sealed in dry,Room Temperature
• Solubility.: DMSO (Slightly), Methanol (Slightly)
• Water Solubility.: Slightly miscible with water.
• XLogP3: 1
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 2
• Exact Mass: 182.02152329
• Heavy Atom Count: 13
• Complexity: 225

Purity/Quality:

98% HPLC ^*data from raw suppliers

4-Hydroxyphthalic Acid ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 24/25

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=C(C=C1O)C(=O)O)C(=O)O
• Uses: 4-Hydroxyphthalic acid is used as a precursor to prepare 3,5-dichloro-4-hydroxyphthalic acid using the reagent aqueous acetic acid and chlorine. Further, it is also used as a starting material in the manufacture of N-(4-carboxyphenyl)-4-acetoxyphthalimide.

Technology Process of 4-Hydroxyphthalic acid

There total 38 articles about 4-Hydroxyphthalic 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: 72.0%

4-sulfophthalic acid (89-08-7) → 4-hydroxyphthalic acid (610-35-5)

Guidance literature:

4-sulfophthalic acid; With sodium hydroxide; In water; at 180 - 200 ℃; for 2h;

With hydrogenchloride; In water; pH=1; Cooling with ice;

Reference yield:

phthalic anhydride (85-44-9) → 4-hydroxyphthalic acid (610-35-5)

Guidance literature:

With sulfuric acid; at 200 ℃; man erhitzt im Autoklaven und giesst das Reaktionsprodukt in Wasser und neutralisiert mit Kalkmilch;

Reference yield:

4-chlorophthalic acid (89-20-3) → 4-hydroxyphthalic acid (610-35-5)

Guidance literature:

With sodium hydroxide; at 175 - 185 ℃;

upstream raw materials:

phthalic anhydride

4-chlorophthalic acid

4-sulfophthalic acid

4-methoxyphthalic acid

Downstream raw materials:

3-Carboxyphenol

carbon dioxide

Diethyl 4-hydroxyphthalate

5-hydroxy-2-(4-phenyl-butyl)-isoindole-1,3-dione

Refernces

• 1、 Moitessier, Clémence,Rifai, Ahmad,Danjou, Pierre-Edouard,Mallard, Isabelle,Cazier-Dennin, Francine. "Efficient synthesis of 4-substituted-ortho-phthalaldehyde analogues: Toward the emergence of new building blocks". . p. 721 - 726. Retrieved 2019/04/17.
• 2、 Ortiz-Soto, Maria Elena,Ertl, Julia,Mut, Jürgen,Adelmann, Juliane,Le, Thien Anh,Shan, Junwen,Te?mar, J?rg,Schlosser, Andreas,Engels, Bernd,Seibel, Jürgen. "Product-oriented chemical surface modification of a levansucrase (SacB): Via an ene-type reaction". . p. 5312 - 5321. Retrieved 2018/06/27.