3,4,5,6-Tetrahydrophthalic acid

Base Information

• Chemical Name: 3,4,5,6-Tetrahydrophthalic acid
• CAS No.: 635-08-5
• Molecular Formula: C8H10 O4
• Molecular Weight: 170.165
• European Community (EC) Number: 211-225-0
• DSSTox Substance ID: DTXSID10921878
• Nikkaji Number: J102.337C,J883.651E
• Wikidata: Q82895023
• Mol file: 635-08-5.mol

Synonyms:3,4,5,6-Tetrahydrophthalic acid;Cyclohexene-1,2-dicarboxylic acid;635-08-5;1-Cyclohexene-1,2-dicarboxylic acid;CYCLOHEX-1-ENE-1,2-DICARBOXYLIC ACID;29965-78-4;EINECS 211-225-0;SCHEMBL217840;.delta.1-Tetrahydrophthalic acid;DTXSID10921878;F75647;115959-69-8

Chemical Property of 3,4,5,6-Tetrahydrophthalic acid

Chemical Property:

• Vapor Pressure: 7.52E-06mmHg at 25°C
• Boiling Point: 350.5°C at 760 mmHg
• Flash Point: 180°C
• PSA: 74.60000
• Density: 1.415g/cm³
• LogP: 1.02620
• XLogP3: 1
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 170.05790880
• Heavy Atom Count: 12
• Complexity: 226

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CCC(=C(C1)C(=O)O)C(=O)O

Technology Process of 3,4,5,6-Tetrahydrophthalic acid

There total 15 articles about 3,4,5,6-Tetrahydrophthalic 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:

→ cyclohex-1-ene-1,2-dicarboxylic acid (635-08-5) + cyclohex-2-ene-1,2-dicarboxylic acid (38765-78-5)

Guidance literature:

With potassium hydroxide;

Reference yield:

→ cyclohex-1-ene-1,2-dicarboxylic acid (635-08-5) + cyclohex-2-ene-1,2-dicarboxylic acid (38765-78-5)

Guidance literature:

With potassium hydroxide;

DOI:10.1039/jr9330001628

Reference yield:

cyclohex-1-ene-1,2-dicarboxylic acid diethyl ester (92687-41-7) + sodium dodecyl-sulfate (151-21-3) → cyclohex-1-ene-1,2-dicarboxylic acid (635-08-5) + cyclohex-2-ene-1,2-dicarboxylic acid (38765-78-5)

Guidance literature:

DOI:10.1021/ja01868a001

upstream raw materials:

3,4,5,6-Tetrahydrophthalic anhydride

3,4,5,6-tetrahydrophthalimide

cyclohexa-2,5-diene-1,2-dicarboxylic acid-anhydride

diethyl 2,7-dibromooctanedioate

Downstream raw materials:

Adipic acid

cyclohex-2-ene-1,2-dicarboxylic acid

(1R,2S)-cyclohexane-1,2-dicarboxylic acid

C₁₀H₈N₂*C₈H₈O₄^(2-)*Zn⁽²⁺⁾*H₂O

Refernces

• 1、 Hoshi,Koizumi,Sato,Wakabayashi. "Hydrolysis and phytotoxic activity of N-aryl-3,4,5, 6-tetrahydroisophthalimides". . p. 1913 - 1915. Retrieved 2007/10/02.