methyl (1R,3S)-3-[(Z)-2-(4-fluorophenyl)oct-1-en-3-ynyl]-2,2-dimethylcyclopropane-1-carboxylate

Base Information

Chemical Name:methyl (1R,3S)-3-[(Z)-2-(4-fluorophenyl)oct-1-en-3-ynyl]-2,2-dimethylcyclopropane-1-carboxylate
CAS No.:133472-25-0
Molecular Formula:C21H25 F O2
Molecular Weight:328.4204
Hs Code.:

Synonyms:133472-25-0;Cyclopropanecarboxylic acid, 3-(2-(4-fluorophenyl)-1-octen-3-ynyl)-2,2-dimethyl-, methyl ester, (1alpha,3alpha(Z))-

Suppliers and Price of methyl (1R,3S)-3-[(Z)-2-(4-fluorophenyl)oct-1-en-3-ynyl]-2,2-dimethylcyclopropane-1-carboxylate

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 2 raw suppliers

Chemical Property of methyl (1R,3S)-3-[(Z)-2-(4-fluorophenyl)oct-1-en-3-ynyl]-2,2-dimethylcyclopropane-1-carboxylate

Chemical Property:

Vapor Pressure:3.85E-07mmHg at 25°C
Boiling Point:416.3°Cat760mmHg
Flash Point:198.4°C
Density:1.104g/cm³
XLogP3:7
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:7
Exact Mass:328.18385820
Heavy Atom Count:24
Complexity:541

Purity/Quality:: 85.0-99.8% ^*data from raw suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CCCCC#CC(=CC1C(C1(C)C)C(=O)OC)C2=CC=C(C=C2)F
Isomeric SMILES:CCCCC#C/C(=C\[C@H]1[C@H](C1(C)C)C(=O)OC)/C2=CC=C(C=C2)F

Technology Process of methyl (1R,3S)-3-[(Z)-2-(4-fluorophenyl)oct-1-en-3-ynyl]-2,2-dimethylcyclopropane-1-carboxylate

There total 3 articles about methyl (1R,3S)-3-[(Z)-2-(4-fluorophenyl)oct-1-en-3-ynyl]-2,2-dimethylcyclopropane-1-carboxylate 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%

: 65960-05-6
1-hexynylzinc chloride

: 133472-23-8
methyl cis-3-<(Z)-2-bromo-2-(4-fluorophenyl)ethenyl>-2,2-dimethylcyclopropanecarboxylate

: 133472-25-0
methyl cis-3-<(E)-2-(4-fluorophenyl)-2-(1-hexynyl)ethenyl>-2,2-dimethylcyclopropanecarboxylate

Guidance literature:: [1,4-bis(diphenylphosphino)butane] palladium(ll) dichloride; In tetrahydrofuran; at 50 ℃; for 16h;
DOI:10.1021/jo00012a048

Reference yield:

: 133472-27-2
4-fluorophenylzinc chloride

: 133472-25-0
methyl cis-3-<(E)-2-(4-fluorophenyl)-2-(1-hexynyl)ethenyl>-2,2-dimethylcyclopropanecarboxylate

Guidance literature:: Multi-step reaction with 2 steps

1: 72 percent / 2-Ph₂P(CH₂)4PPh₂> / tetrahydrofuran / Ambient temperature

2: 96 percent / 2-Ph₂P(CH₂)4PPh₂> / tetrahydrofuran / 16 h / 50 °C

[1,4-bis(diphenylphosphino)butane] palladium(ll) dichloride; In tetrahydrofuran;
DOI:10.1021/jo00012a048

Reference yield:

: 113830-50-5
methyl cis-3-(2,2-dibromoethenyl)-2,2-dimethylcyclopropanecarboxylate

: 133472-25-0
methyl cis-3-<(E)-2-(4-fluorophenyl)-2-(1-hexynyl)ethenyl>-2,2-dimethylcyclopropanecarboxylate

Guidance literature:: Multi-step reaction with 2 steps

1: 72 percent / 2-Ph₂P(CH₂)4PPh₂> / tetrahydrofuran / Ambient temperature

2: 96 percent / 2-Ph₂P(CH₂)4PPh₂> / tetrahydrofuran / 16 h / 50 °C

[1,4-bis(diphenylphosphino)butane] palladium(ll) dichloride; In tetrahydrofuran;
DOI:10.1021/jo00012a048