Homophthalic acid

Base Information

• Chemical Name: Homophthalic acid
• CAS No.: 89-51-0
• Molecular Formula: C9H8O4
• Molecular Weight: 180.16
• Hs Code.: 29173990
• European Community (EC) Number: 201-913-9
• NSC Number: 401692,15185
• UNII: 3GE2MUV5GV
• DSSTox Substance ID: DTXSID4058990
• Nikkaji Number: J4.304D
• Wikipedia: Homophthalic_acid
• Wikidata: Q19597515
• Metabolomics Workbench ID: 122957
• ChEMBL ID: CHEMBL1229545
• Mol file: 89-51-0.mol

Synonyms:homophthalic acid

Chemical Property of Homophthalic acid

Chemical Property:

• Appearance/Colour: off-white to light yellow or pale green powder
• Vapor Pressure: 9.16E-07mmHg at 25°C
• Melting Point: 178-182 °C(lit.)
• Refractive Index: 1.6
• Boiling Point: 389.5 °C at 760 mmHg
• PKA: 3.72±0.36(Predicted)
• Flash Point: 203.5 °C
• PSA: 74.60000
• Density: 1.392 g/cm³
• LogP: 1.01190
• Storage Temp.: Sealed in dry,Room Temperature
• Solubility.: soluble in Dimethylformamide
• Water Solubility.: 12 g/L (20 ºC)
• XLogP3: 1.6
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 180.04225873
• Heavy Atom Count: 13
• Complexity: 212

Purity/Quality:

98%,99%, ^*data from raw suppliers

Homophthalic acid ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 22-24/25-37/39-26-36/37/39-27

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: C1=CC=C(C(=C1)CC(=O)O)C(=O)O
• Uses: antidepressant A remainder phthalic acid.

Technology Process of Homophthalic acid

There total 75 articles about Homophthalic 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: 100.0%

homophthalic anhydride (703-59-3) → Homophthalic acid (89-51-0)

Guidance literature:

With hydrogenchloride; In water; for 1h; Heating;

Reference yield: 90.0%

carbon monoxide (201230-82-2) + 2-(2-bromophenyl)acetamide (65999-53-3) → Homophthalic acid (89-51-0)

Guidance literature:

With tetrabutylammomium bromide; dicobalt octacarbonyl; In sodium hydroxide; benzene; at 65 ℃; for 20h; Irradiation;

DOI:10.1021/jo00156a004

Reference yield: 89.0%

1-indene (95-13-6) → Homophthalic acid (89-51-0)

Guidance literature:

With jones reagent; osmium(VIII) oxide; In water; acetone; for 20h; Ambient temperature;

DOI:10.1021/jo00069a047

upstream raw materials:

2-benzofuran-1(3H)-one

cis-1,2,3,4-tetrahydro-naphthalene-2,3-diol

3-(1-hydroxy-1-methylethyl)indene

phthalonic acid

Downstream raw materials:

dimethyl homophthalate

2-(2-(methoxycarbonyl)phenyl)acetic acid

spiro (3,4-dihydroisocoumarin-3,3'-phthalide)

dibenzo[c,h]indeno[1,2-f]chromene-5,11-dione

Refernces

• 1、 Rayavarapu, Pratima,Shah, Shikha,Sunder, Avinash Vellore,Wangikar, Pramod P.. "Expanding the repertoire of nitrilases with broad substrate specificity and high substrate tolerance for biocatalytic applications". . p. 289 - 296. Retrieved 2020/05/18.
• 2、 Ying, Jie,Herbst, Annika,Xiao, Yu-Xuan,Wei, Hao,Tian, Ge,Li, Zhaofei,Yang, Xiao-Yu,Su, Bao-Lian,Janiak, Christoph. "Nanocoating of Hydrophobic Mesoporous Silica around MIL-101Cr for Enhanced Catalytic Activity and Stability". supporting information. p. 899 - 902. Retrieved 2018/02/14.