2-Hydroxyisophthalic acid

Base Information

• Chemical Name: 2-Hydroxyisophthalic acid
• CAS No.: 606-19-9
• Molecular Formula: C8H6 O5
• Molecular Weight: 182.133
• Hs Code.: 2917399590
• NSC Number: 252689
• UNII: ADA7W32TDB
• DSSTox Substance ID: DTXSID10209401
• Nikkaji Number: J94.854C
• Wikidata: Q27103075
• Metabolomics Workbench ID: 51278
• ChEMBL ID: CHEMBL4171541
• Mol file: 606-19-9.mol

Synonyms:2-hydroxyisophthalic acid

Chemical Property of 2-Hydroxyisophthalic acid

Chemical Property:

• Vapor Pressure: 3.16E-07mmHg at 25°C
• Melting Point: 244°C
• Refractive Index: 1.5690 (estimate)
• Boiling Point: 403.3°C at 760 mmHg
• PKA: 2.17±0.10(Predicted)
• Flash Point: 211.8°C
• PSA: 94.83000
• Density: 1.612g/cm³
• LogP: 0.78860
• Water Solubility.: 26.4g/L(100 oC)
• 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: 203

Purity/Quality:

98%min ^*data from raw suppliers

2-Hydroxybenzene-1,3-dicarboxylicacid ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 2-Hydroxyisophthalic acid

There total 41 articles about 2-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: 96.0%

2-methoxyisophthalic acid (1951-38-8) → 2-hydroxyisophthalic acid (606-19-9)

Guidance literature:

With hydrogen bromide; acetic acid; at 90 ℃; for 0.75h;

DOI:10.1021/acs.orglett.9b00081

Reference yield: 85.0%

3-methylsalicylic acid (83-40-9) → 2-hydroxyisophthalic acid (606-19-9)

Guidance literature:

With potassium hydroxide monohydrate; water; lead dioxide; Heating;

Reference yield: 52.0%

2-nitroisophthalic acid (21161-11-5) → 2-hydroxyisophthalic acid (606-19-9)

Guidance literature:

2-nitroisophthalic acid; With sodium hydroxide; In methanol; isopropyl alcohol; at 70 ℃; under 150.015 Torr;

In dimethyl sulfoxide; at 160 ℃; for 3h;

DOI:10.1002/ejoc.201801864

upstream raw materials:

3-formylsalicylic acid

2-iodoyl-1,3-benzenedicarboxylic acid

3-methylsalicylic acid

2-methoxyisophthalic acid

Downstream raw materials:

dimethyl 2-hydroxyisophthalate

2-hydroxy-isophthalic acid diphenyl ester

carbon dioxide

salicylic acid

Refernces

• 1、 -. "Complexes and Ligands". Paragraph 0055. . Retrieved 2022/02/05.
• 2、 Aeschi, Yves,Jucker, Laurent,H?ussinger, Daniel,Mayor, Marcel. "Slow Formation of Pseudorotaxanes in Water". supporting information. p. 3384 - 3390. Retrieved 2019/02/19.