3-Butene-1,2,3-tricarboxylic acid

Base Information

• Chemical Name: 3-Butene-1,2,3-tricarboxylic acid
• CAS No.: 26326-05-6
• Molecular Formula: C7H8O6
• Molecular Weight: 188.137
• Hs Code.: 2917190090
• European Community (EC) Number: 247-612-6
• DSSTox Substance ID: DTXSID20897136
• Nikkaji Number: J36.619F
• Mol file: 26326-05-6.mol

Synonyms:26326-05-6;but-3-ene-1,2,3-tricarboxylic acid;3-Butene-1,2,3-tricarboxylic acid;1-Butene-2,3,4-Tricarboxylic Acid;3-Butene-1,2,3-tricarboxylicacid;EINECS 247-612-6;1-methylidenepropane-1,2,3-tricarboxylic acid;SCHEMBL78919;DTXSID20897136;CHEBI:189183;HMS1668M07;but-3-ene-1,2,3-tricarboxylicacid;BBL036652;CCG-48325;MFCD00014344;STL525491;AKOS027320962;VS-13608;CS-0328194;FT-0615265;A877264;SR-01000637876-1

Chemical Property of 3-Butene-1,2,3-tricarboxylic acid

Chemical Property:

• Vapor Pressure: 7.8E-09mmHg at 25°C
• Melting Point: 177 °C
• Boiling Point: 436.3 °C at 760 mmHg
• Flash Point: 231.8 °C
• PSA: 111.90000
• Density: 1.526 g/cm³
• LogP: -0.19730
• XLogP3: -0.6
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 5
• Exact Mass: 188.03208797
• Heavy Atom Count: 13
• Complexity: 266

Purity/Quality:

98%min ^*data from raw suppliers

But-3-ene-1,2,3-tricarboxylicacid 95+% ^*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: C=C(C(CC(=O)O)C(=O)O)C(=O)O

Technology Process of 3-Butene-1,2,3-tricarboxylic acid

There total 3 articles about 3-Butene-1,2,3-tricarboxylic 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:

3-Buten-1,2,3-tricarbonsaeure-(1,2-diethyl-3-methylester) (25652-72-6) → 1-butene-2,3,4-tricarboxylic acid ester (26326-05-6)

Guidance literature:

(acid hydrolysis);

DOI:10.1246/bcsj.42.2732

Reference yield:

→ 1-butene-2,3,4-tricarboxylic acid ester (26326-05-6)

Guidance literature:

Reference yield:

diethyl Fumarate (623-91-6) + tricyclohexylphosphine (2622-14-2) → 1-butene-2,3,4-tricarboxylic acid ester (26326-05-6)

Guidance literature:

With nitrogen; In 1,4-dioxane;

upstream raw materials:

3-Buten-1,2,3-tricarbonsaeure-(1,2-diethyl-3-methylester)

diethyl Fumarate

tricyclohexylphosphine

Refernces

• 1、 -. "Acylated polyoxyalkylene polyamines". . . Retrieved 2008/06/13.