3-Fluorocyclobutanecarboxylic acid

Base Information

Chemical Name:3-Fluorocyclobutanecarboxylic acid
CAS No.:123812-78-2
Molecular Formula:C₅H₇FO₂
Molecular Weight:118.108
Hs Code.:2916200090
European Community (EC) Number:827-019-4,846-310-7
DSSTox Substance ID:DTXSID90595617,DTXSID201273464,DTXSID901283185

Synonyms:3-Fluorocyclobutanecarboxylic acid;122665-96-7;123812-78-2;123812-79-3;3-fluorocyclobutane-1-carboxylic acid;cis-3-fluorocyclobutane-1-carboxylic acid;trans-3-fluorocyclobutane-1-carboxylic acid;3-Fluoro-cyclobutanecarboxylic acid;cis-3-Fluorocyclobutanecarboxylic acid;trans-3-Fluorocyclobutanecarboxylic acid;Cyclobutanecarboxylic acid, 3-fluoro-, trans-;Cyclobutanecarboxylic acid, 3-fluoro-, cis-;MFCD09834117;MFCD16661179;MFCD16661184;(1R,3R)-3-FLUOROCYCLOBUTANE-1-CARBOXYLIC ACID;(1S,3S)-3-FLUOROCYCLOBUTANE-1-CARBOXYLIC ACID;CYCLOBUTANECARBOXYLIC ACID, 3-FLUORO-;SCHEMBL988736;SCHEMBL988762;SCHEMBL20495131;SCHEMBL24244104;DTXSID90595617;LQXHCYIDZUPZNK-UHFFFAOYSA-N;DTXSID201273464;DTXSID901283185;YEA81278;YEA81279;3-fluoro-1-cyclobutanecarboxylic acid;AKOS006283194;AKOS030630906;AKOS030630939;trans-3-Fluorocyclobutanecarboxylicacid;AM85510;PB20399;PB40020;PB40021;3-fluoranylcyclobutane-1-carboxylic acid;AS-33525;AS-53552;AS-53652;SY097548;SY099383;SY099384;DB-002995;CS-0036337;CS-0047785;CS-0049707;EN300-268644;P16657;P16826;rac-(1s,3s)-3-fluorocyclobutane-1-carboxylic;EN300-7100848;EN300-7349767;A804942;J-512550

Suppliers and Price of 3-Fluorocyclobutanecarboxylic acid

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

Activate Scientific
cis-3-Fluorocyclobutane-1-carboxylic acid 95% ee
1 g
$ 1501.00

Activate Scientific
cis-3-Fluorocyclobutane-1-carboxylic acid 95% ee
250 mg
$ 612.00

Activate Scientific
cis-3-Fluorocyclobutane-1-carboxylic acid 95% ee
100 mg
$ 358.00

Total 6 raw suppliers

Chemical Property of 3-Fluorocyclobutanecarboxylic acid

Chemical Property:

Vapor Pressure:0.057mmHg at 25°C
Boiling Point:215.4±33.0 °C(Predicted)
PKA:4.21±0.40(Predicted)
Density:1.25±0.1 g/cm3(Predicted)
XLogP3:0.7
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:1
Exact Mass:118.04300762
Heavy Atom Count:8
Complexity:107

Purity/Quality:

99%, ^*data from raw suppliers

cis-3-Fluorocyclobutane-1-carboxylic acid 95% ee ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:

Useful:

Canonical SMILES:C1C(CC1F)C(=O)O

Technology Process of 3-Fluorocyclobutanecarboxylic acid

There total 4 articles about 3-Fluorocyclobutanecarboxylic acid 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: 100.0%

: trans-benzyl 3-fluorocyclobutanecarboxylate

: 123812-78-2,123812-79-3
trans-3-fluorocyclobutanecarboxylic acid

Guidance literature:: With hydrogen; palladium 10% on activated carbon; In methanol; at 20 ℃; for 5h;

Reference yield:

: 23761-23-1
3-oxocyclobutanecarboxylic acid

: 123812-78-2,123812-79-3
trans-3-fluorocyclobutanecarboxylic acid

Guidance literature:: Multi-step reaction with 4 steps

1: toluene-4-sulfonic acid / toluene / 3 h / Heating

2: lithium tri-t-butoxyaluminum hydride / tetrahydrofuran / -78 °C / Inert atmosphere

3: (bis-(2-methoxyethyl)amino)sulfur trufluoride / dichloromethane; tetrahydrofuran / -78 - 20 °C

4: hydrogen / palladium 10% on activated carbon / methanol / 5 h / 20 °C

With hydrogen; toluene-4-sulfonic acid; lithium tri-t-butoxyaluminum hydride; (bis-(2-methoxyethyl)amino)sulfur trufluoride; palladium 10% on activated carbon; In tetrahydrofuran; methanol; dichloromethane; toluene;

Reference yield:

: 198995-91-4
benzyl 3-oxocyclobutane-1-carboxylate

: 123812-78-2,123812-79-3
trans-3-fluorocyclobutanecarboxylic acid

Guidance literature:: Multi-step reaction with 3 steps

1: lithium tri-t-butoxyaluminum hydride / tetrahydrofuran / -78 °C / Inert atmosphere

2: (bis-(2-methoxyethyl)amino)sulfur trufluoride / dichloromethane; tetrahydrofuran / -78 - 20 °C

3: hydrogen / palladium 10% on activated carbon / methanol / 5 h / 20 °C

With hydrogen; lithium tri-t-butoxyaluminum hydride; (bis-(2-methoxyethyl)amino)sulfur trufluoride; palladium 10% on activated carbon; In tetrahydrofuran; methanol; dichloromethane;