Citronic acid; Methylfumaric acid

Base Information

• Chemical Name: Citronic acid; Methylfumaric acid
• CAS No.: 7407-59-2
• Molecular Formula: C₅H₆O₄
• Molecular Weight: 130.1
• European Community (EC) Number: 231-014-7
• DSSTox Substance ID: DTXSID20862046
• Wikidata: Q105030822

Synonyms:7407-59-2;Citronic acid;Methylfumaric acid;DTXSID20862046;Kyselina mesakonovaMethylfumaric acid;AKOS033199661;FT-0623952;FT-0628231

Chemical Property of Citronic acid; Methylfumaric acid

Chemical Property:

• Boiling Point: 336.6°Cat760mmHg
• Flash Point: 171.5°C
• Density: 1.387g/cm³
• XLogP3: -0.1
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 130.02660867
• Heavy Atom Count: 9
• Complexity: 168

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

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

Technology Process of Citronic acid; Methylfumaric acid

There total 11 articles about Citronic acid; Methylfumaric 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:

2-methylenesuccinic acid (97-65-4,25119-64-6) → propene (187737-37-7,13987-01-4,15220-87-8,9003-07-0,676-63-1,25085-53-4) + poly(methacrylic acid) (79-41-4,25087-26-7,50867-57-7) + citraconic acid (498-23-7,7407-59-2) + Mesaconic acid (498-24-8,7407-59-2) + carbon dioxide (124-38-9,18923-20-1) + acetic acid (64-19-7,77671-22-8) + 2-oxo-propionic acid (127-17-3) + acetone (67-64-1)

Guidance literature:

With barium hexa-aluminate; In water; at 175 ℃; under 30003 Torr; Autoclave; Inert atmosphere;

DOI:10.1016/j.mcat.2019.110520

Reference yield:

2-methylenesuccinic acid (97-65-4,25119-64-6) → propene (187737-37-7,13987-01-4,15220-87-8,9003-07-0,676-63-1,25085-53-4) + poly(methacrylic acid) (79-41-4,25087-26-7,50867-57-7) + citraconic acid (498-23-7,7407-59-2) + Mesaconic acid (498-24-8,7407-59-2) + carbon dioxide (124-38-9,18923-20-1) + acetic acid (64-19-7,77671-22-8) + 2-oxo-propionic acid (127-17-3) + acetone (67-64-1)

Guidance literature:

With barium hexa-aluminate; In water; at 175 ℃; under 30003 Torr; Autoclave; Inert atmosphere;

DOI:10.1016/j.mcat.2019.110520

Reference yield:

2-methylenesuccinic acid (97-65-4,25119-64-6) → propene (187737-37-7,13987-01-4,15220-87-8,9003-07-0,676-63-1,25085-53-4) + poly(methacrylic acid) (79-41-4,25087-26-7,50867-57-7) + citraconic acid (498-23-7,7407-59-2) + Mesaconic acid (498-24-8,7407-59-2) + 2-methyllactic acid (594-61-6) + carbon dioxide (124-38-9,18923-20-1) + acetic acid (64-19-7,77671-22-8) + 2-oxo-propionic acid (127-17-3) + acetone (67-64-1)

Guidance literature:

With barium hexa-aluminate; In water; at 200 ℃; under 30003 Torr; Autoclave; Inert atmosphere;

DOI:10.1016/j.mcat.2019.110520

upstream raw materials:

(2,4'-dihydroxy-3,3'-dimethoxy-5-methyl)diphenylmethane

(R)-methylsuccinic acid dimethyl ester

citraconic acid dimethyl ester

Mesaconic acid

Downstream raw materials:

-2-methyl-3-(4-chlorophenyl)prop-2-enoic acid

3-methyl-1-phenylpyrrole-2,5-dione

2-methyl-N-phenyl-maleamic acid

N-Benzyl-DL-threo-β-hydroxy-β-methyl-asparaginsaeure

Refernces

Bromomesaconic and bromocitraconic acids. Potential active site labeling reagents for dicarboxylic acid metabolizing enzymes.

10.1021/jm00289a013

The research focuses on the synthesis and enzymatic study of bromomesaconic acid (4) and bromocitraconic acid (11), exploring their potential as active site labeling reagents for enzymes involved in dicarboxylic acid metabolism. The study aims to understand the inhibitory effects of these compounds on specific enzymes, such as fumarase, and to establish their potential as irreversible inhibitors. The researchers synthesized both unlabeled and 14C-labeled bromomesaconic acid (4) and bromocitraconic acid (11) using various chemical reactions, including bromination and hydrolysis. They found that compound 4 is a potent irreversible inhibitor for yeast and pig heart fumarase, while 11 also inactivates fumarase but at a slower rate. The study concludes that these brominated compounds could serve as valuable tools for studying enzyme active sites due to their specific inhibitory properties.

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