Propanedioic acid, [(1R)-1-phenyl-2-propenyl]-, dimethyl ester

Base Information

Chemical Name:Propanedioic acid, [(1R)-1-phenyl-2-propenyl]-, dimethyl ester
CAS No.:164713-27-3
Molecular Formula:C14H16O4
Molecular Weight:248.279
Hs Code.:
DSSTox Substance ID:DTXSID50448913
Nikkaji Number:J899.375K
Wikidata:Q82268118
Mol file:164713-27-3.mol

Synonyms:164713-27-3;Propanedioic acid, [(1R)-1-phenyl-2-propenyl]-, dimethyl ester;DTXSID50448913;(R)-1-Phenylallylmalonic acid dimethyl ester

Suppliers and Price of Propanedioic acid, [(1R)-1-phenyl-2-propenyl]-, dimethyl ester

Supply Marketing:

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

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Chemical Property of Propanedioic acid, [(1R)-1-phenyl-2-propenyl]-, dimethyl ester

Chemical Property:

XLogP3:2.7
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:7
Exact Mass:248.10485899
Heavy Atom Count:18
Complexity:289

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:COC(=O)C(C(C=C)C1=CC=CC=C1)C(=O)OC
Isomeric SMILES:COC(=O)C([C@@H](C=C)C1=CC=CC=C1)C(=O)OC

Technology Process of Propanedioic acid, [(1R)-1-phenyl-2-propenyl]-, dimethyl ester

There total 49 articles about Propanedioic acid, [(1R)-1-phenyl-2-propenyl]-, dimethyl 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: 96.0%

: 87802-71-9,85217-69-2
(E)-methyl cinnamyl carbonate

: 108-59-8
malonic acid dimethyl ester

: 164713-27-3
dimethyl 2-((R)-1-phenylallyl)malonate

Guidance literature:: With chiral phosphorus amidate ligand L₂; 1,3,5-triazabicyclo[4.4.0]dec-5-ene; bis(1,5-cyclooctadiene)diiridium(I) dichloride; In tetrahydrofuran; at 20 ℃; for 2h;
DOI:10.1055/s-2007-970754

Reference yield: 95.0%

: 85217-69-2,87802-71-9
cinnamyl methyl carbonate

: 18424-76-5
sodiodimethylmalonate

: 164713-27-3
dimethyl 2-((R)-1-phenylallyl)malonate

Guidance literature:: With propylamine; bis(1,5-cyclooctadiene)diiridium(I) dichloride; C₃₀H₂₄NO₂P; In tetrahydrofuran; at 20 ℃; for 1h; optical yield given as %ee; enantioselective reaction; Inert atmosphere;
DOI:10.1021/ja210923k

Reference yield: 89.0%

: 108-59-8
malonic acid dimethyl ester

: 811803-79-9
(S)-(-)-1-acetoxy-1-phenyl-2-propylene

: 164713-27-3
dimethyl 2-((R)-1-phenylallyl)malonate

Guidance literature:: With n-butyllithium; (S_a)-2-phenoxydinaphtho[2,1-d:1',2'-f][1,3,2]dioxaphosphepine; bis(1,5-cyclooctadiene)diiridium(I) dichloride; In tetrahydrofuran; for 20h;
DOI:10.1021/jo048834d