Fumarate

Base Information

• Chemical Name: Fumarate
• CAS No.: 142-42-7
• Molecular Formula: C4H2 O4
• Molecular Weight: 114.057
• DSSTox Substance ID: DTXSID9037660
• Nikkaji Number: J216.001C
• Wikidata: Q28529698
• Mol file: 142-42-7.mol

Synonyms:Acid Ester, Fumaric;Acid Esters, Fumaric;Ester, Fumaric Acid;Esters, Fumarate;Esters, Fumaric Acid;Fumarate;Fumarate Esters;Fumarates;Fumaric Acid Ester;Fumaric Acid Esters

Chemical Property of Fumarate

Chemical Property:

• Vapor Pressure: 0mmHg at 25°C
• Boiling Point: 355.482°C at 760 mmHg
• Flash Point: 182.981°C
• PSA: 80.26000
• LogP: -2.95760
• XLogP3: 1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 0
• Exact Mass: 113.99530854
• Heavy Atom Count: 8
• Complexity: 108

Purity/Quality:

99.0% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C(=CC(=O)[O-])C(=O)[O-]
• Isomeric SMILES: C(=C/C(=O)[O-])\C(=O)[O-]

Technology Process of Fumarate

There total 5 articles about Fumarate 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:

mono-p-nitrophenyl fumarate → 4-nitro-phenol (100-02-7,78813-13-5,89830-32-0) + fumarate (142-42-7)

Guidance literature:

peptide JNIIR₁₁K₁₅; In acetate buffer; acetonitrile; at 16.85 ℃; pH=5.1; Further Variations:; Catalysts; Kinetics;

DOI:10.1016/S0968-0896(98)00218-1

Reference yield:

(E)-but-2-enoic acid (107-93-7) → fumarate (142-42-7)

Guidance literature:

With 1036 coulombs; water; aqua(2,2'-bipyridine)(2,2':6',2''-terpyridine)ruthenium(II)⁽²⁺⁾; at 30 ℃; pH 6.8 (0.1 M in (HPO4)2-/(H2PO4)- buffer), at 0.8 V to generate 2+ from 2+;

DOI:10.1021/jo00199a043

Reference yield:

maleic acid (110-16-7,26099-09-2) → fumarate (142-42-7) + succinate (56-14-4)

Guidance literature:

With helium; sodium formate; In phosphate buffer; for 1.5h; pH=5.3 - 8.0; Further Variations:; pH-values; Reagents; Product distribution; Irradiation;

DOI:10.1016/j.tetlet.2005.12.042

upstream raw materials:

(E)-but-2-enoic acid

maleic acid

(2E)-but-2-enedioic acid

Downstream raw materials:

fumaric acid bis-(4-nitro-benzyl ester)

N,N'-diphenyl-2-butenediamide

L-Aspartic acid

N,N'-Dibenzyloxyfumaramid

Refernces

Regioselective hetero-Michael addition of oxygen, sulfur, and nitrogen nucleophiles to maleimides catalyzed by BF₃·OEt₂

10.1055/s-0034-1380404

The research aims to develop an efficient and environmentally friendly method for the synthesis of alkyl fumarate derivatives or 3-substituted succinimides using BF3·OEt2 as a catalyst. The study focuses on the regioselective 1,2-addition or 1,4-hetero-Michael addition of oxygen, sulfur, and nitrogen nucleophiles to maleimides, which are important building blocks in organic synthesis. The reaction system was found to have a wide substrate scope and yielded moderate to excellent results (up to 96%). The use of BF3·OEt2 as a catalyst was highlighted for its simplicity, efficiency, and tolerance of oxygen, offering a significant improvement over base-catalyzed methods.

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