3,3'-(p-Phenylene)dipropionic acid

Base Information

• Chemical Name: 3,3'-(p-Phenylene)dipropionic acid
• CAS No.: 4251-21-2
• Molecular Formula: C12H14O4
• Molecular Weight: 222.241
• European Community (EC) Number: 224-215-6
• UNII: PZE427KW83
• DSSTox Substance ID: DTXSID70195295
• Nikkaji Number: J80.775C
• Wikidata: Q83068177
• Mol file: 4251-21-2.mol

Synonyms:4251-21-2;p-Phenylenedipropionic acid;p-Phenylenedipropionicacid;1,4-benzenedipropanoic acid;3,3'-(p-Phenylene)dipropionic acid;3-[4-(2-carboxyethyl)phenyl]propanoic acid;3,3'-(1,4-Phenylene)dipropanoic acid;1,4-Phenylenedipropionic acid;1,4-Benzenedipropionic acid;PZE427KW83;EINECS 224-215-6;p-phenylene dipropionic acid;UNII-PZE427KW83;SCHEMBL69746;DTXSID70195295;MFCD00002779;STK664519;1,4-Phenylenedipropionic acid, 98%;AKOS001738143;AB89916;3,3'-(1,4-phenylene)dipropionic acid;3,3'-benzene-1,4-diyldipropanoic acid;BS-17253;CS-0157561;FT-0645385;D83173;Propionic acid, 3-[4-(2-carboxyethyl)phenyl]-;A825918;3-[4-(3-hydroxy-3-oxopropyl)phenyl]propanoic acid;J-640216;J-800217

Chemical Property of 3,3'-(p-Phenylene)dipropionic acid

Chemical Property:

• Appearance/Colour: off-white to light yellow powder
• Vapor Pressure: 6.13E-08mmHg at 25°C
• Melting Point: 231-234 °C(lit.)
• Refractive Index: 1.5130 (estimate)
• Boiling Point: 423.811 °C at 760 mmHg
• PKA: 4.37±0.10(Predicted)
• Flash Point: 224.259 °C
• PSA: 74.60000
• Density: 1.253 g/cm³
• LogP: 1.72100
• Storage Temp.: Sealed in dry,Room Temperature
• XLogP3: 1.4
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 6
• Exact Mass: 222.08920892
• Heavy Atom Count: 16
• Complexity: 215

Purity/Quality:

98%,99%, ^*data from raw suppliers

1,4-Phenylenedipropionic acid 98% ^*data from reagent suppliers

Safty Information:

• Safety Statements: 24/25

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: C1=CC(=CC=C1CCC(=O)O)CCC(=O)O

Technology Process of 3,3'-(p-Phenylene)dipropionic acid

There total 19 articles about 3,3'-(p-Phenylene)dipropionic 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: 91.0%

3-[4-(2-ethoxycarbonyl-ethyl)-phenyl]-propionic acid ethyl ester (70364-29-3) → 3,3'-(1,4-phenylene)dipropanoic acid (4251-21-2)

Guidance literature:

With sodium hydroxide; In ethanol; Reflux;

DOI:10.1002/anie.201801462

Reference yield: 81.0%

1,4-phenylenediacrylic acid (16323-43-6) → 3,3'-(1,4-phenylene)dipropanoic acid (4251-21-2)

Guidance literature:

With palladium on activated charcoal; hydrogen; sodium hydroxide; In water; for 48h;

Reference yield:

tetraethyl <1,4-phenylenebis(methylene)>bismalonate (63134-93-0) → 3,3'-(1,4-phenylene)dipropanoic acid (4251-21-2)

Guidance literature:

tetraethyl <1,4-phenylenebis(methylene)>bismalonate; With sodium hydroxide; In ethanol; water; for 1.5h; Reflux;

With sulfuric acid; In water; at 62 ℃; for 48h; pH=1.5; Reflux;

upstream raw materials:

3-[4-(2-ethoxycarbonyl-ethyl)-phenyl]-propionic acid ethyl ester

3,3'-(1,4-phenylene)dipropanenitrile

p-Xylylene dichloride

dimethyl 3,3'-(1,4-phenylene)dipropanoate

Downstream raw materials:

3-[4-(2-ethoxycarbonyl-ethyl)-phenyl]-propionic acid ethyl ester

3,3'-(1,4-phenylene)bis(propane-3,1-diyl)bis(4-methylbenzenesulfonate)

3,3'-(1,4-phenylene)dipropanenitrile

1,4-phenylenedipropane-1-amine

Refernces

• 1、 Giumanini et al.. "". . p. 1844. Retrieved 1975.
• 2、 -. "NOVEL MONOMERS FROM BIOMASS". Paragraph 0252; 0253. . Retrieved 2017/09/02.
• 3、 Tang, Hang,Wijesekera, Tilak P.,Dolphin, David. "Synthesis and characterization of derivatized capped porhyrins". . p. 1366 - 1374. Retrieved 2007/10/02.