1-Methyl (3S)-3-(4-fluorophenyl)pentanedioate

Base Information

Chemical Name:1-Methyl (3S)-3-(4-fluorophenyl)pentanedioate
CAS No.:216690-16-3
Molecular Formula:C₁₂H₁₃FO₄
Molecular Weight:240.231
Hs Code.:
DSSTox Substance ID:DTXSID801254694
Nikkaji Number:J1.371.072D

Synonyms:216690-16-3;SCHEMBL6581020;DTXSID801254694;1-Methyl (3S)-3-(4-fluorophenyl)pentanedioate

Suppliers and Price of 1-Methyl (3S)-3-(4-fluorophenyl)pentanedioate

Supply Marketing:

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

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Chemical Property of 1-Methyl (3S)-3-(4-fluorophenyl)pentanedioate

Chemical Property:

XLogP3:1.4
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:6
Exact Mass:240.07978705
Heavy Atom Count:17
Complexity:272

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:

Useful:

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

Technology Process of 1-Methyl (3S)-3-(4-fluorophenyl)pentanedioate

There total 12 articles about 1-Methyl (3S)-3-(4-fluorophenyl)pentanedioate 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: 87.0%

: 1130247-44-7
(3R)-tert-butyl methyl 3-(4-fluorophenyl)pentane-1,5-dioate

: 216690-16-3
(3R)-methyl hydrogen 3-(4-fluorophenyl)pentane-1,5-dioate

Guidance literature:: With trifluoroacetic acid; In dichloromethane; at 0 ℃; for 2h; Inert atmosphere;
DOI:10.1016/j.tetasy.2008.12.010

Reference yield: 86.0%

: 216690-15-2
dimethyl 3-(4-fluorophenyl)glutarate

: 216690-16-3
(3R)-methyl hydrogen 3-(4-fluorophenyl)pentane-1,5-dioate

Guidance literature:: With pig liver esterase (600 U); In water; acetone; at 20 ℃; pH=7.0; Enzymatic reaction;
DOI:10.1016/S0040-4039(00)00942-4

Reference yield:

: 216690-15-2
dimethyl 3-(4-fluorophenyl)glutarate

: (R)-3-(4-fluorophenyl)pentanedioic acid monomethyl ester

: 3449-63-6
3-(4-fluorophenyl)pentan-1,5-dioic acid

: 216690-16-3
(3R)-methyl hydrogen 3-(4-fluorophenyl)pentane-1,5-dioate

Guidance literature:: With esterase PE₈ from Pelagibacterium halotolerans B₂T; In 1,4-dioxane; aq. phosphate buffer; at 30 ℃; for 36h; pH=8; Temperature; pH-value; Concentration; Solvent; enantioselective reaction; Enzymatic reaction;
DOI:10.1016/j.molcatb.2013.09.002