Propanedioic acid, (2-phenylethyl)-

Base Information

Chemical Name:Propanedioic acid, (2-phenylethyl)-
CAS No.:3709-21-5
Molecular Formula:C11H12O4
Molecular Weight:208.214
Hs Code.:
European Community (EC) Number:658-658-5
NSC Number:402048
DSSTox Substance ID:DTXSID50190586
Nikkaji Number:J2.832.146E
Wikidata:Q83062980
ChEMBL ID:CHEMBL369031
Mol file:3709-21-5.mol

Synonyms:3709-21-5;2-(2-phenylethyl)propanedioic acid;2-Phenethylmalonic acid;Propanedioic acid, (2-phenylethyl)-;LABOTEST-BB LT00408946;2-(2-phenylethyl)malonic acid;NSC402048;phenylethylmalonic acid;2-Phenethylmalonicacid;benzylmethylmalonic acid;2-phenylethylmalonic acid;2-Phenethyl-malonic acid;CHEMBL369031;SCHEMBL2291948;DTXSID50190586;IUZIGXNXWJEZLU-UHFFFAOYSA-N;AKOS005215986;NSC 402048;NSC-402048;F79856

Suppliers and Price of Propanedioic acid, (2-phenylethyl)-

Supply Marketing:

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

Manufacturers and distributors:

Manufacture/Brand
Chemicals and raw materials
Packaging
price

Total 7 raw suppliers

Chemical Property of Propanedioic acid, (2-phenylethyl)-

Chemical Property:

Vapor Pressure:6.57E-07mmHg at 25°C
Boiling Point:393.8°C at 760 mmHg
Flash Point:206.1°C
Density:1.29g/cm³
XLogP3:1.7
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:5
Exact Mass:208.07355886
Heavy Atom Count:15
Complexity:217

Purity/Quality:: 97% ^*data from raw suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:C1=CC=C(C=C1)CCC(C(=O)O)C(=O)O

Technology Process of Propanedioic acid, (2-phenylethyl)-

There total 10 articles about Propanedioic acid, (2-phenylethyl)- 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%

: 6628-68-8
ethyl 2-(ethoxycarbonyl)-4-phenylbutanoate

: 3709-21-5
2-phenylethylmalonic acid

Guidance literature:: ethyl 2-(ethoxycarbonyl)-4-phenylbutanoate; With water; sodium hydroxide; In tetrahydrofuran; methanol; for 0.5h; Reflux;

With hydrogenchloride; In tetrahydrofuran; methanol; water; pH=< 1;
DOI:10.1016/j.bmc.2009.06.065

Reference yield:

: 3709-34-0
2-phenyl-1,1-cyclopropanedicarboxylic acid

: 3709-21-5
2-phenylethylmalonic acid

Guidance literature:: With hydrogen; palladium on activated charcoal; In acetic acid;
DOI:10.1007/BF00904733

Reference yield:

: 103-63-9
1-phenyl-2-bromoethane

: 3709-21-5
2-phenylethylmalonic acid

Guidance literature:: Multi-step reaction with 2 steps

1: 97 percent / NaH / tetrahydrofuran / Heating

2: 57 percent / aq. LiOH / 8 h / Heating

With lithium hydroxide; sodium hydride; In tetrahydrofuran;
DOI:10.1021/jm00374a006