3-Hydroxyphthalic acid

Base Information

• Chemical Name: 3-Hydroxyphthalic acid
• CAS No.: 601-97-8
• Molecular Formula: C8H6 O5
• Molecular Weight: 182.133
• Hs Code.: 2918290000
• European Community (EC) Number: 210-011-4
• NSC Number: 2436
• UNII: U8LUD5V352
• DSSTox Substance ID: DTXSID60208848
• Nikkaji Number: J94.853E
• Wikidata: Q77383908
• Metabolomics Workbench ID: 112082
• ChEMBL ID: CHEMBL2420930
• Mol file: 601-97-8.mol

Synonyms:3-Hydroxyphthalic acid;601-97-8;3-hydroxybenzene-1,2-dicarboxylic acid;Phthalic acid, 3-hydroxy-;1,2-Benzenedicarboxylic acid, 3-hydroxy-;U8LUD5V352;CHEMBL2420930;NSC-2436;EINECS 210-011-4;3-Hydroxyphthalicacid;1, 3-hydroxy-;3-hydroxy-phthalic acid;UNII-U8LUD5V352;SCHEMBL318601;DTXSID60208848;NSC2436;NSC 2436;BDBM50493099;AKOS005216306;MB25538;3-hydroxy-1,2-benzenedicarboxylic acid;AS-83186;1,2-Benzenedicarboxylic acid, 3-hydroxy- [;CS-0010331;FT-0660625;E73941;EN300-122435;F2147-1049;GOG

Chemical Property of 3-Hydroxyphthalic acid

Chemical Property:

• Vapor Pressure: 6.84E-08mmHg at 25°C
• Melting Point: 161-163 °C
• Boiling Point: 422.5°C at 760 mmHg
• PKA: 2.67±0.25(Predicted)
• Flash Point: 223.4°C
• PSA: 94.83000
• Density: 1.612g/cm³
• LogP: 0.78860
• XLogP3: 1.1
• 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%min ^*data from raw suppliers

3-hydroxyphthalicacid ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=C(C(=C1)O)C(=O)O)C(=O)O
• Uses: 3-Hydroxyphthalic Acid can be used to treat cancer.

Technology Process of 3-Hydroxyphthalic acid

There total 39 articles about 3-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: 96.0%

3-hydroxylphthalonitrile (116039-49-7) → 3-hydroxyphthalic acid (601-97-8)

Guidance literature:

With water; potassium hydroxide; at 130 ℃; for 90h;

Reference yield: 91.98%

3-methoxyphthalic acid (14963-97-4) → 3-hydroxyphthalic acid (601-97-8)

Guidance literature:

With boron tribromide; In dichloromethane; at 10 - 15 ℃; for 5h; Temperature; Reagent/catalyst; Solvent;

Reference yield: 83.0%

α-naphthol (90-15-3) → 3-hydroxyphthalic acid (601-97-8)

Guidance literature:

With sodium hypochlorite; ruthenium(III) chloride trihydrate; sulfuric acid; tetrabutylammomium bromide; In water; 1,2-dichloro-ethane; at 23 ℃; for 0.5h; pH=9; Green chemistry;

DOI:10.1007/s10562-016-1717-6

upstream raw materials:

3-aminophthalic acid

5-hydroxynaphtho-1,4-quinone

1-naphthyl acetate

3-methoxyphthalic acid

Downstream raw materials:

3-hydroxyphthalic anhydride

2,3-bis(methoxycarbonyl)phenol

2-{[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxo-2,3-dihydro-1H-isoindol-4-yl]oxy}acetic acid

3-benzyloxy-phthalic acid dimethyl ester

Refernces

• 1、 -. "OLIGONUCLEOTIDE-BASED PROTEOLYSIS TARGETING CHIMERA". . . Retrieved 2020/01/08.
• 2、 -. "A hydroxy benzoic anhydride preparation method". . . Retrieved 2017/08/25.