3-[3-(2-Carboxyeth-1-EN-1-YL)phenyl]prop-2-enoic acid

Base Information

• Chemical Name: 3-[3-(2-Carboxyeth-1-EN-1-YL)phenyl]prop-2-enoic acid
• CAS No.: 23713-86-2
• Molecular Formula: C12H10O4
• Molecular Weight: 218.209
• DSSTox Substance ID: DTXSID301228298
• Nikkaji Number: J2.728.593G,J802.839G
• Mol file: 23713-86-2.mol

Synonyms:37710-81-9;TC AQP1 1;3-[3-(2-CARBOXYETH-1-EN-1-YL)PHENYL]PROP-2-ENOIC ACID;23713-86-2;3,3'-(1,3-phenylene)diacrylic acid;3,3'-(1,3-Phenylene)bis(2-propenoic acid);(2E,2'E)-3,3'-(1,3-Phenylene)diacrylic acid;(E)-3-[3-[(E)-2-carboxyethenyl]phenyl]prop-2-enoic acid;(2E)-3-{3-[(1E)-2-CARBOXYETH-1-EN-1-YL]PHENYL}PROP-2-ENOIC ACID;SCHEMBL69146;TC-AQP1-1;3,3'-m-Phenylenebisacrylic acid;DTXSID301228298;CCG-5776;MFCD00021776;AKOS004904724;AKOS040746395;BIM-0016783.P001;3,3'-(m-Phenylene)bis[(E)-acrylic acid];HY-110200;CS-0033064;EN300-205077;EN300-833112;AB00080031-01;10.14272/KRXUBZPHAPGHPE-YDFGWWAZSA-N.1;A829502;SR-01000203994;doi:10.14272/KRXUBZPHAPGHPE-YDFGWWAZSA-N.1;SR-01000203994-1;(2E,2'E)-3,3'-(1,3-Phenylene)bis[2-propenoic acid];(E)-3-[3-[(E)-2-carboxyethenyl]phenyl]-2-propenoic acid;(E)-3-[3-[(E)-3-oxidanyl-3-oxidanylidene-prop-1-enyl]phenyl]prop-2-enoic acid

Chemical Property of 3-[3-(2-Carboxyeth-1-EN-1-YL)phenyl]prop-2-enoic acid

Chemical Property:

• XLogP3: 2.1
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 4
• Exact Mass: 218.05790880
• Heavy Atom Count: 16
• Complexity: 287

Purity/Quality:

98% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: C1=CC(=CC(=C1)C=CC(=O)O)C=CC(=O)O
• Isomeric SMILES: C1=CC(=CC(=C1)/C=C/C(=O)O)/C=C/C(=O)O

Technology Process of 3-[3-(2-Carboxyeth-1-EN-1-YL)phenyl]prop-2-enoic acid

There total 2 articles about 3-[3-(2-Carboxyeth-1-EN-1-YL)phenyl]prop-2-enoic 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: 99.0%

Isophthalaldehyde (626-19-7) + malonic acid (141-82-2) → 1,3-phenylene-3,3'-bis(2-propenoic) acid (23713-86-2)

Guidance literature:

With piperidine; pyridine; at 100 ℃;

Reference yield:

Isophthalaldehyde (626-19-7) + malonic acid (141-82-2) → 1,3-phenylene-3,3'-bis(2-propenoic) acid (23713-86-2) + 3-Formyl cinnamic acid (74815-17-1)

Guidance literature:

Reference yield: 99.0%

meta-nitrophenol (554-84-7) + 1,3-phenylene-3,3'-bis(2-propenoic) acid (23713-86-2) → C24H16N2O8

Guidance literature:

With dmap; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; In tetrahydrofuran; at 23 ℃;

upstream raw materials:

Isophthalaldehyde

malonic acid

Downstream raw materials:

(E)-3-[3-((E)-2-methoxycarbonyl-vinyl)-phenyl]-acrylic acid methyl ester

diethyl (2E,2′E)-3,3′-benzene-1,3-diylbis-prop-2-enoate

(E,E)-3,3'-(1,3-phenylene)bis-2-propenal

(2E,2'E)-3,3'-(1,3-phenylene)-bis(prop-2-en-1-ol)