1,4-Benzenedipropanoic acid, diethyl ester

Base Information

• Chemical Name: 1,4-Benzenedipropanoic acid, diethyl ester
• CAS No.: 70364-29-3
• Molecular Formula: C16H22O4
• Molecular Weight: 278.348
• DSSTox Substance ID: DTXSID90479084
• Nikkaji Number: J802.834F
• Wikidata: Q82312966
• Mol file: 70364-29-3.mol

Synonyms:70364-29-3;1,4-Benzenedipropanoic acid, diethyl ester;ETHYL 3-[4-(3-ETHOXY-3-OXOPROPYL)PHENYL]PROPANOATE;SCHEMBL68902;DTXSID90479084;3-[4-(2-Ethoxycarbonyl-ethyl)-phenyl]-propionic acid ethyl ester;1,4-bis(2-ethoxycarbonylethyl)benzene;Diethyl 3,3'-(1,4-phenylene)dipropanoate;diethyl 3,3'-benzene-1,4-diyldipropanoate

Chemical Property of 1,4-Benzenedipropanoic acid, diethyl ester

Chemical Property:

• Boiling Point: 368.2oC at 760 mmHg
• Flash Point: 176.3oC
• PSA: 52.60000
• Density: 1.066g/cm3
• LogP: 2.67800
• XLogP3: 2.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 10
• Exact Mass: 278.15180918
• Heavy Atom Count: 20
• Complexity: 263

Purity/Quality:

95% ^*data from raw suppliers

3-[4-(2-ETHOXYCARBONYL-ETHYL)-PHENYL]-PROPIONIC ACID ETHYL ESTER 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCOC(=O)CCC1=CC=C(C=C1)CCC(=O)OCC

Technology Process of 1,4-Benzenedipropanoic acid, diethyl ester

There total 13 articles about 1,4-Benzenedipropanoic acid, diethyl ester 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: 100.0%

z-bis-ethyl[1,4-phenylene]-bis-(3-propenoate) → 3-[4-(2-ethoxycarbonyl-ethyl)-phenyl]-propionic acid ethyl ester (70364-29-3)

Guidance literature:

With hydrogen; 10% palladium on activated carbon; In methanol; for 24h; under 2585.81 Torr;

Reference yield: 91.0%

diethyl (2E,2′E)-3,3′-benzene-1,4-diylbis-prop-2-enoate (23746-57-8) → 3-[4-(2-ethoxycarbonyl-ethyl)-phenyl]-propionic acid ethyl ester (70364-29-3)

Guidance literature:

With sodium tetrahydroborate; nickel dichloride; In ethanol; at 20 ℃; for 6h;

DOI:10.1002/ejoc.200300310

Reference yield: 77.0%

acrylaldehyde diethyl acetal (3054-95-3) + para-diiodobenzene (624-38-4,1032416-46-8) → 3-[4-(2-ethoxycarbonyl-ethyl)-phenyl]-propionic acid ethyl ester (70364-29-3)

Guidance literature:

With tributyl-amine; tetrabutyl-ammonium chloride; palladium diacetate; In N,N-dimethyl-formamide; at 90 ℃; for 3h;

DOI:10.1055/s-2003-39900

upstream raw materials:

3,3'-(1,4-phenylene)dipropanoic acid

diethyl (2E,2′E)-3,3′-benzene-1,4-diylbis-prop-2-enoate

ethyl acetoacetate

p-Xylylene dichloride

Downstream raw materials:

3,3'-(1,4-phenylene)dipropanoic acid

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

Diacyl chloride of benzene-1,4-dipropionic acid

C₁₂H₁₈N₄O₂

Refernces

• 1、 Liu, Jinying,Yuan, Feng,Ma, Xiaoyu,Auphedeous, Dang-i Y.,Zhao, Changli,Liu, Chuntai,Shen, Changyu,Feng, Chuanliang. "The Cooperative Effect of Both Molecular and Supramolecular Chirality on Cell Adhesion". . p. 6475 - 6479. Retrieved 2018/05/08.
• 2、 Nájera, Carmen,Botella, Luis. "Chemoselective Heck arylation of acrolein diethyl acetal catalyzed by an oxime-derived palladacycle". . p. 9688 - 9695. Retrieved 2007/10/03.