1,2-Dihydrophthalic acid

Base Information

• Chemical Name: 1,2-Dihydrophthalic acid
• CAS No.: 22919-28-4
• Molecular Formula: C8H8 O4
• Molecular Weight: 168.149
• Hs Code.: 2917209090
• European Community (EC) Number: 245-326-6
• NSC Number: 131336
• DSSTox Substance ID: DTXSID80945602
• Nikkaji Number: J83.236G
• Wikidata: Q27149409
• Mol file: 22919-28-4.mol

Synonyms:1,2-Dihydrophthalic acid;22919-28-4;Cyclohexa-3,5-diene-1,2-dicarboxylic acid;3,5-cyclohexadiene-1,2-dicarboxylic acid;EINECS 245-326-6;NSC 131336;Cyclohexa-3,5-diene-1,2-dicarboxylate;dihydrophthalic acid;NSC131336;SCHEMBL156544;CHEBI:80385;DTXSID80945602;AKOS003617943;NSC-131336;Q27149409

Chemical Property of 1,2-Dihydrophthalic acid

Chemical Property:

• Vapor Pressure: 5.61E-08mmHg at 25°C
• Melting Point: 209-210 °C
• Boiling Point: 413°Cat760mmHg
• PKA: 3.37±0.40(Predicted)
• Flash Point: 217.7°C
• PSA: 74.60000
• Density: 1.43g/cm³
• LogP: 0.51400
• XLogP3: 0.6
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 168.04225873
• Heavy Atom Count: 12
• Complexity: 236

Purity/Quality:

99%, ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 1,2-Dihydrophthalic acid

There total 12 articles about 1,2-Dihydrophthalic 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: 90.0%

benzene-1,2-dicarboxylic acid (88-99-3,73607-73-5) → 3,5-cyclohexadiene-1,2-trans-dicarboxylic acid (22919-28-4)

Guidance literature:

With acetic anhydride; at 20 - 80 ℃; Inert atmosphere; Electrochemical reaction;

Reference yield: 86.0%

benzene-1,2-dicarboxylic acid (88-99-3,73607-73-5) → trans-cyclohexa-3,5-diene-1,2-dicarboxylic acid (5675-13-8,22919-28-4,26554-23-4)

Guidance literature:

With sulfuric acid; In 1,4-dioxane; at 25 ℃; electroreduction (divided cells, lead plates, 0.20 A);

DOI:10.1016/S0040-4039(00)77642-8

Reference yield:

phthalic anhydride (85-44-9) → 3,5-cyclohexadiene-1,2-trans-dicarboxylic acid (22919-28-4)

Guidance literature:

With sodium amalgam; sodium carbonate; (+)-trans-Δ^3.5-dihydrophthalic acid;

upstream raw materials:

phthalic anhydride

benzene-1,2-dicarboxylic acid

sulfuric acid

water

Downstream raw materials:

1,2-Dihydrophthalyltosylat

bicyclo<2.2.0>hex-5-ene-2,3-dicarboxylic anhydride

bicyclo (2.2.2) oct-7-ene-2,3,5,6-tetracarboxylic dianhydride

t-2,t-3,c-4-Triacetoxy-r-1-cyclohexan-c-5,t-6-dicarbonsaeure-di-tert-butylester

Refernces

• 1、 -. "Preparation method of bicyclo-tetracarboxylic dianhydride". Paragraph 0009. . Retrieved 2018/06/04.
• 2、 Khabashesku, V. N.,Kerzina, Z. A.,Baskir, E. G.,Maltsev, A. K.,Nefedov, O. M.. "Direct spectroscopic study of unstable molecules with silicon-oxygen multiple bonds: Low temperature matrix stabilization of (CH3)2Si=O and (CD3)2Si=O in the gas phase". . p. 277 - 294. Retrieved 2007/10/02.