5-Hydroxyisophthalic acid

Base Information

• Chemical Name: 5-Hydroxyisophthalic acid
• CAS No.: 618-83-7
• Molecular Formula: C8H6O5
• Molecular Weight: 182.133
• Hs Code.: 29182990
• European Community (EC) Number: 210-565-7
• NSC Number: 302088
• UNII: 95UD7B188K
• DSSTox Substance ID: DTXSID1060687
• Nikkaji Number: J38.927G
• Wikidata: Q72484591
• Mol file: 618-83-7.mol

Synonyms:5-hydroxyisophthalic acid

Chemical Property of 5-Hydroxyisophthalic acid

Chemical Property:

• Appearance/Colour: white to slightly yellow powder
• Vapor Pressure: 1.65E-11mmHg at 25°C
• Melting Point: 298-302 °C(lit.)
• Refractive Index: 1.4330 (estimate)
• Boiling Point: 516.9 °C at 760 mmHg
• PKA: 3.41±0.10(Predicted)
• Flash Point: 280.5 °C
• PSA: 94.83000
• Density: 1.612 g/cm³
• LogP: 0.78860
• Storage Temp.: Store below +30°C.
• Solubility.: 0.6g/l
• Water Solubility.: 0.6g/L(15 oC)
• XLogP3: 0.7
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 2
• Exact Mass: 182.02152329
• Heavy Atom Count: 13
• Complexity: 203

Purity/Quality:

98% ^*data from raw suppliers

5-Hydroxyisophthalic Acid ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-37/39-24/25-36

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=C(C=C(C=C1C(=O)O)O)C(=O)O

Technology Process of 5-Hydroxyisophthalic acid

There total 18 articles about 5-Hydroxyisophthalic 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: 58.0%

Dimethyl 5-hydroxyisophthalate (13036-02-7) → 5-Hydroxyisophthalic acid (618-83-7)

Guidance literature:

Dimethyl 5-hydroxyisophthalate; With water; lithium hydroxide; In tetrahydrofuran; at 40 ℃;

With hydrogenchloride; In water; pH=~ 2;

Reference yield:

5-bromoisophthalic acid (23351-91-9) → 5-Hydroxyisophthalic acid (618-83-7)

Guidance literature:

With copper(I) oxide; sodium hydroxide; In water; at 130 ℃; for 20h;

Reference yield:

isophthalic acid (121-91-5) → 5-Hydroxyisophthalic acid (618-83-7)

Guidance literature:

isophthalic acid; With fuming sulphuric acid; bromine; iodine; at 103 - 106 ℃; for 6h;

With copper(I) oxide; water; sodium hydroxide; at 140 ℃; for 1.5h; Concentration; Time; Temperature; Reagent/catalyst; Autoclave;

DOI:10.1021/op0100302

upstream raw materials:

3-Chloro-5-Methylbenzoic Acid

5-aminoisophthalic acid

6-methoxy-3-oxo-cyclohepta-1,4,6-trienecarboxylic acid

6-bromo-3-methoxy-5-oxo-cyclohepta-1,3,6-trienecarboxylic acid

Downstream raw materials:

diethyl 5-hydroxyisophthalate

bis(diphenylmethyl) 5-hydroxyisophthalate

carbon dioxide

phenol

Refernces

• 1、 -. "Anthraquinone compound and its preparation method and medical use (by machine translation)". . . Retrieved 2017/08/30.
• 2、 -. "COMPOUNDS AND METHODS FOR INHIBITING NHE-MEDIATED ANTIPORT IN THE TREATMENT OF DISORDERS ASSOCIATED WITH FLUID RETENTION OR SALT OVERLOAD AND GASTROINTESTINAL TRACT DISORDERS". Page/Page column 317. . Retrieved 2010/08/04.