exo-3,6-Epoxy-1,2,3,6-tetrahydrophthalic Acid

Base Information

• Chemical Name: exo-3,6-Epoxy-1,2,3,6-tetrahydrophthalic Acid
• CAS No.: 28871-62-7
• Molecular Formula: C8H8 O5
• Molecular Weight: 184.149
• Hs Code.: 2932999099
• European Community (EC) Number: 679-950-9
• DSSTox Substance ID: DTXSID401155810
• Nikkaji Number: J926.423J
• Mol file: 28871-62-7.mol

Synonyms:28871-62-7;exo-3,6-Epoxy-1,2,3,6-tetrahydrophthalic Acid;(exo,exo)-7-Oxabicyclo[2.2.1]hept-5-ene-2,3-dicarboxylic acid;7-Oxabicyclo[2.2.1]hept-5-ene-2,3-dicarboxylic acid, (1R,2S,3R,4S)-rel-;SCHEMBL13897079;DTXSID401155810;MFCD01741575;3beta,6beta-Epoxy-4-cyclohexene-1beta,2beta-dicarboxylic acid;(exo,exo)-7-Oxabicyclo[2.2.1]hept-5-ene-2,3-dicarboxylicacid;rel-(1R,2S,3R,4S)-7-Oxabicyclo[2.2.1]hept-5-ene-2,3-dicarboxylic acid;(1R,2S,3R,4S)-7-OXABICYCLO[2.2.1]HEPT-5-ENE-2,3-DICARBOXYLIC ACID

Chemical Property of exo-3,6-Epoxy-1,2,3,6-tetrahydrophthalic Acid

Chemical Property:

• Melting Point: 129°C
• Boiling Point: 464.5°Cat760mmHg
• Flash Point: 199.1°C
• PSA: 83.83000
• Density: 1.614g/cm³
• LogP: -0.27480
• XLogP3: -0.8
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 2
• Exact Mass: 184.03717335
• Heavy Atom Count: 13
• Complexity: 267

Purity/Quality:

99%, ^*data from raw suppliers

EXO-3,6-EPOXY-1,2,3,6-TETRAHYDROPHTHALIC ACID 95.00% ^*data from reagent suppliers

Safty Information:

• Statements: 36/37/38
• Safety Statements: 26-36/37/39

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC2C(C(C1O2)C(=O)O)C(=O)O
• Isomeric SMILES: C1=C[C@H]2[C@@H]([C@@H]([C@@H]1O2)C(=O)O)C(=O)O

Technology Process of exo-3,6-Epoxy-1,2,3,6-tetrahydrophthalic Acid

There total 4 articles about exo-3,6-Epoxy-1,2,3,6-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: 98.0%

exo-3,6-epoxy-1,2,3,6-tetrahydrophthalic anhydride (6118-51-0) → 7-Oxa-bicyclo-<2.2.1>-hept-5-en-2,3-exo,exo-dicarbonsaeure (28871-62-7)

Guidance literature:

With water; at 20 ℃;

DOI:10.1002/(SICI)1521-3773(19991004)38:19<2899::AID-ANIE2899>3.0.CO;2-M

Reference yield:

furan (110-00-9) + maleic acid (110-16-7,26099-09-2) → endo, cis-7-oxabicyclo<2.2.1>hept-5-ene-2,3-dicarboxylic acid (51112-81-3) + 7-Oxa-bicyclo-<2.2.1>-hept-5-en-2,3-exo,exo-dicarbonsaeure (28871-62-7)

Guidance literature:

With water;

DOI:10.1021/ja01103a060 DOI:10.1016/S0040-4020(01)93382-4

Reference yield:

(2-endo,3-exo)-7-oxabicyclo<2.2.1>hept-5-ene-2,3-bis(carbonyl chloride) (81486-09-1) → (1S,3S,4R)-7-Oxa-bicyclo[2.2.1]hept-5-ene-2,3-dicarboxylic acid (5629-08-3,28871-62-7,51112-81-3,51372-65-7)

Guidance literature:

With water;

upstream raw materials:

furan

maleic acid

exo-3,6-epoxy-1,2,3,6-tetrahydrophthalic anhydride

(2-endo,3-exo)-7-oxabicyclo<2.2.1>hept-5-ene-2,3-bis(carbonyl chloride)

Downstream raw materials:

(2-endo,3-exo)-7-oxabicyclo<2.2.1>heptane-2,3-dimethanol

(2-endo,3-exo)-7-oxabicyclo<2.2.1>heptane-2,3-dimethanol bis(4-methylbenzenesulfonate)

endo, cis-7-oxabicyclo<2.2.1>hept-5-ene-2,3-dicarboxylic acid

(+)-7-Oxanorbornan-trans-2,3-dicarbonsaeure

Refernces

• 1、 Umezawa, Naoki,Tanaka, Kumi,Urano, Yasuteru,Kikuchi, Kazuya,Higuchi, Tsunehiko,Nagano, Tetsuo. "Novel fluorescent probes for singlet oxygen". . p. 2899 - 2901. Retrieved 2007/10/03.
• 2、 Fechtel, G.. "Preparation and Properties of Metal Chelates by Using Bicyclic Dicarboxylic Acids". . p. 1037 - 1044. Retrieved 2007/10/02.