4,4-Difluoro-4-(4-bromophenyl)-2-butynoic acid ethyl ester

Base Information

Chemical Name:4,4-Difluoro-4-(4-bromophenyl)-2-butynoic acid ethyl ester
CAS No.:1311146-39-0
Molecular Formula:C₁₂H₉BrF₂O₂
Molecular Weight:303.103
Hs Code.:
DSSTox Substance ID:DTXSID401183279
Nikkaji Number:J2.971.802D

Synonyms:1311146-39-0;DTXSID401183279;4,4-Difluoro-4-(4-bromophenyl)-2-butynoic acid ethyl ester;2-Butynoic acid, 4-(4-bromophenyl)-4,4-difluoro-, ethyl ester

Suppliers and Price of 4,4-Difluoro-4-(4-bromophenyl)-2-butynoic acid ethyl ester

Supply Marketing:

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

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Chemical Property of 4,4-Difluoro-4-(4-bromophenyl)-2-butynoic acid ethyl ester

Chemical Property:

XLogP3:3.9
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:3
Exact Mass:301.97540
Heavy Atom Count:17
Complexity:335

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:

Useful:

Canonical SMILES:CCOC(=O)C#CC(C1=CC=C(C=C1)Br)(F)F

Technology Process of 4,4-Difluoro-4-(4-bromophenyl)-2-butynoic acid ethyl ester

There total 5 articles about 4,4-Difluoro-4-(4-bromophenyl)-2-butynoic acid ethyl 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: 68.0%

: 215675-07-3
4-(4-bromophenyl)-4-oxo-but-2-ynoic acid ethyl ester

: 1311146-39-0
4-(4-bromophenyl)-4,4-difluorobut-2-ynoic acid ethyl ester

Guidance literature:: With ethanol; diethylamino-sulfur trifluoride; at 65 ℃; for 8h;
DOI:10.1016/j.tet.2011.03.073

Reference yield:

: 1122-91-4
4-bromo-benzaldehyde

: 1311146-39-0
4-(4-bromophenyl)-4,4-difluorobut-2-ynoic acid ethyl ester

Guidance literature:: Multi-step reaction with 4 steps

1.1: n-butyllithium / tetrahydrofuran; hexane / 0.5 h / -90 - -80 °C / Inert atmosphere

1.2: 0.33 h / -80 °C

1.3: 2.5 h / -80 °C / Cooling with ice

2.1: ammonium chloride / tetrahydrofuran; hexane

3.1: Jones reagent / acetone / 20 °C

4.1: ethanol; diethylamino-sulfur trifluoride / 8 h / 65 °C

With Jones reagent; n-butyllithium; ethanol; diethylamino-sulfur trifluoride; ammonium chloride; In tetrahydrofuran; hexane; acetone; 3.1: Jones oxidation;
DOI:10.1016/j.tet.2011.03.073

Reference yield:

: 623-47-2
propynoic acid ethyl ester

: 1311146-39-0
4-(4-bromophenyl)-4,4-difluorobut-2-ynoic acid ethyl ester

Guidance literature:: Multi-step reaction with 4 steps

1.1: n-butyllithium / tetrahydrofuran; hexane / 0.5 h / -90 - -80 °C / Inert atmosphere

1.2: 0.33 h / -80 °C

1.3: 2.5 h / -80 °C / Cooling with ice

2.1: ammonium chloride / tetrahydrofuran; hexane

3.1: Jones reagent / acetone / 20 °C

4.1: ethanol; diethylamino-sulfur trifluoride / 8 h / 65 °C

With Jones reagent; n-butyllithium; ethanol; diethylamino-sulfur trifluoride; ammonium chloride; In tetrahydrofuran; hexane; acetone; 3.1: Jones oxidation;
DOI:10.1016/j.tet.2011.03.073