2-(2,4-Difluorophenyl)-2-propenyl-propanedioic Acid Diethyl Ester

Base Information

Chemical Name:2-(2,4-Difluorophenyl)-2-propenyl-propanedioic Acid Diethyl Ester
CAS No.:159276-62-7
Molecular Formula:C16H18F2O4
Molecular Weight:312.313
Hs Code.:
DSSTox Substance ID:DTXSID00432660
Wikidata:Q82246755
Mol file:159276-62-7.mol

Synonyms:159276-62-7;2-(2,4-Difluorophenyl)-2-propenyl-propanedioic Acid Diethyl Ester;Diethyl 2-[2-(2,4-difluorophenyl)prop-2-enyl]propanedioate;AGN-PC-0MVG3R;SCHEMBL14314949;Diethyl [2-(2,4-difluorophenyl) prop-2-en-1-yl]malonate;DTXSID00432660;ICXSWEPRNMGYGO-UHFFFAOYSA-N;2-[2-(2,4-Difluorophenyl)-2-propen-1-yl]propanedioic Acid 1,3-Diethyl Ester;FT-0666840;J-009588

Suppliers and Price of 2-(2,4-Difluorophenyl)-2-propenyl-propanedioic Acid Diethyl Ester

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

TRC
2-(2,4-Difluorophenyl)-2-propenyl-propanedioicAcidDiethylEster
100 mg
$ 555.00

Biosynth Carbosynth
2-(2,4-Difluorophenyl)-2-propenyl-propanedioic acid diethyl ester
250 mg
$ 1530.00

Biosynth Carbosynth
2-(2,4-Difluorophenyl)-2-propenyl-propanedioic acid diethyl ester
100 mg
$ 840.00

Biosynth Carbosynth
2-(2,4-Difluorophenyl)-2-propenyl-propanedioic acid diethyl ester
50 mg
$ 462.00

Biosynth Carbosynth
2-(2,4-Difluorophenyl)-2-propenyl-propanedioic acid diethyl ester
25 mg
$ 254.50

Biosynth Carbosynth
2-(2,4-Difluorophenyl)-2-propenyl-propanedioic acid diethyl ester
10 mg
$ 139.80

Total 20 raw suppliers

Chemical Property of 2-(2,4-Difluorophenyl)-2-propenyl-propanedioic Acid Diethyl Ester

Chemical Property:

Boiling Point:359.9±42.0 °C(Predicted)
PKA:12.27±0.59(Predicted)
PSA：52.60000
Density:1.171±0.06 g/cm3(Predicted)
LogP:3.11050
Solubility.:Chloroform, Dichloromethane, Ethyl Acetate, Methanol
XLogP3:4.1
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:9
Exact Mass:312.11731538
Heavy Atom Count:22
Complexity:393

Purity/Quality:

99.9% ^*data from raw suppliers

2-(2,4-Difluorophenyl)-2-propenyl-propanedioicAcidDiethylEster ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CCOC(=O)C(CC(=C)C1=C(C=C(C=C1)F)F)C(=O)OCC
Uses Intermediate in the preparation of Posaconazole.

Technology Process of 2-(2,4-Difluorophenyl)-2-propenyl-propanedioic Acid Diethyl Ester

There total 9 articles about 2-(2,4-Difluorophenyl)-2-propenyl-propanedioic 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: 92.0%

: 156570-10-4
1-(1-chloromethylethenyl)-2,4-difluorobenzene

: 105-53-3
diethyl malonate

: 159276-62-7
diethyl 2-[2-(2,4-difluorophenyl)-2-propen-1-yl]-1,3-propanedioate

Guidance literature:: With lithium hydroxide; In dimethyl sulfoxide; at 20 ℃; for 10h; Reagent/catalyst;

Reference yield: 90.0%

: 159276-58-1
1-(1-Bromomethyl-vinyl)-2,4-difluoro-benzene

: 105-53-3
diethyl malonate

: 159276-62-7
diethyl 2-[2-(2,4-difluorophenyl)-2-propen-1-yl]-1,3-propanedioate

Guidance literature:: DOI:10.1080/00397911.2014.929147

Reference yield:

: 51336-94-8
2-chloro-1-(2,4-dichlorophenyl)ethanone

: 159276-62-7
diethyl 2-[2-(2,4-difluorophenyl)-2-propen-1-yl]-1,3-propanedioate

Guidance literature:: Multi-step reaction with 2 steps

1.1: magnesium / tert-butyl methyl ether / 4 h / 55 °C

1.2: -10 - 0 °C

1.3: 3 h / 25 - 50 °C

2.1: sodium hydroxide / dimethyl sulfoxide / 5 h / 25 - 30 °C

With magnesium; sodium hydroxide; In tert-butyl methyl ether; dimethyl sulfoxide;