Dimethyl 2-(4-Fluorobenzylidene)Malonate

Base Information

Chemical Name:Dimethyl 2-(4-Fluorobenzylidene)Malonate
CAS No.:52927-40-9
Molecular Formula:C12H11FO4
Molecular Weight:238.215
Hs Code.:
DSSTox Substance ID:DTXSID70452219
Nikkaji Number:J994.419B
ChEMBL ID:CHEMBL2148171
Mol file:52927-40-9.mol

Synonyms:CHEMBL2148171;52927-40-9;Dimethyl 2-[(4-fluorophenyl)methylidene]propanedioate;Dimethyl 2-(4-Fluorobenzylidene)Malonate;SCHEMBL3921874;DTXSID70452219;BDBM50391674;(4-Fluorobenzylidene)malonic acid dimethyl ester

Suppliers and Price of Dimethyl 2-(4-Fluorobenzylidene)Malonate

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 0 raw suppliers

Chemical Property of Dimethyl 2-(4-Fluorobenzylidene)Malonate

Chemical Property:

XLogP3:2.3
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:5
Exact Mass:238.06413699
Heavy Atom Count:17
Complexity:299

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:COC(=O)C(=CC1=CC=C(C=C1)F)C(=O)OC

Technology Process of Dimethyl 2-(4-Fluorobenzylidene)Malonate

There total 1 articles about Dimethyl 2-(4-Fluorobenzylidene)Malonate 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: 92.0%

: 459-57-4
4-fluorobenzaldehyde

: 108-59-8
malonic acid dimethyl ester

: 52927-40-9
dimethyl 2-(4-fluorobenzylidene)malonate

Guidance literature:: With piperidine; acetic acid; In benzene; for 5h; Dean-Stark; Reflux; Inert atmosphere;
DOI:10.1002/chem.201800957

Reference yield: 87.0%

: 52927-40-9
dimethyl 2-(4-fluorobenzylidene)malonate

: C₁₂H₁₂ClNO₂

: dimethyl 2-((S)-((R)-5-(4-chlorophenyl)-2-(methoxycarbonyl)-3,4-dihydro-2H-pyrrol-2-yl)(4-fluorophenyl)methyl)malonate

Guidance literature:: With tetrakis(acetonitrile)copper(I)tetrafluoroborate; (S)-TF-Biphamphos; potassium carbonate; In dichloromethane; at 20 ℃; for 1h; enantioselective reaction; Inert atmosphere;
DOI:10.1039/c5ob00591d

Reference yield: 86.0%

: 1287715-28-9
3-isothiocyanato-1-methylindolin-2-one

: 52927-40-9
dimethyl 2-(4-fluorobenzylidene)malonate

: C₂₂H₁₉FN₂O₅S

Guidance literature:: dimethyl 2-(4-fluorobenzylidene)malonate; With 1-(3,5-bis(trifluoromethyl)phenyl)-3-((S)-(6-methoxyquinolin-4-yl)((2S,4S,8R)-8-vinylquinuclidin-2-yl)methyl)thiourea; In toluene; at 28 ℃; for 0.116667h; Inert atmosphere; Cooling with ice;

3-isothiocyanato-1-methylindolin-2-one; In toluene; at 0 ℃; for 10h; stereoselective reaction; Inert atmosphere;
DOI:10.1039/c6ob02104b