3-Fluorocyclobutanecarboxylic acid

Base Information

Chemical Name:3-Fluorocyclobutanecarboxylic acid
CAS No.:122665-96-7
Molecular Formula:C5H7FO2
Molecular Weight:118.11
Hs Code.:2916209090
European Community (EC) Number:827-019-4,846-310-7
DSSTox Substance ID:DTXSID90595617,DTXSID201273464,DTXSID901283185
Mol file:122665-96-7.mol

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

TRC
3-FluorocyclobutanecarboxylicAcid
50mg
$ 130.00

TRC
3-FluorocyclobutanecarboxylicAcid
100mg
$ 200.00

SynQuest Laboratories
3-Fluorocyclobutane-1-carboxylic acid
250 mg
$ 175.00

SynQuest Laboratories
3-Fluorocyclobutane-1-carboxylic acid
1 g
$ 575.00

Matrix Scientific
3-Fluoro-cyclobutanecarboxylic acid >95%
250mg
$ 435.00

Matrix Scientific
3-Fluoro-cyclobutanecarboxylic acid >95%
1g
$ 1176.00

Matrix Scientific
3-Fluoro-cyclobutanecarboxylic acid >95%
500mg
$ 688.00

Crysdot
3-Fluorocyclobutanecarboxylicacid 95+%
1g
$ 450.00

Crysdot
3-Fluorocyclobutanecarboxylicacid 95+%
5g
$ 1575.00

Chemenu
3-fluorocyclobutane-1-carboxylicacid 95+%
5g
$ 759.00

Total 33 raw suppliers

Chemical Property of 3-Fluorocyclobutanecarboxylic acid

Chemical Property:

Vapor Pressure:0.0571mmHg at 25°C
Boiling Point:215.4°C at 760 mmHg
PKA:4.21±0.40(Predicted)
Flash Point:84.1°C
PSA：37.30000
Density:1.25g/cm³
LogP:0.81910
Storage Temp.:under inert gas (nitrogen or Argon) at 2-8°C
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

3-FluorocyclobutanecarboxylicAcid ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

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

Technology Process of 3-Fluorocyclobutanecarboxylic acid

There total 2 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: 81.7%

: 123812-77-1
3-fluoro-1,1-cyclobutanedicarboxylic acid

: 122665-96-7
3-fluorocyclobutane-1-carboxylic acid

Guidance literature:: at 190 - 200 ℃; under 5 Torr;
DOI:10.1021/ja00157a055

Reference yield:

: 123812-76-0
diethyl 3-fluorocyclobutane-1,1-dicarboxylate

: 122665-96-7
3-fluorocyclobutane-1-carboxylic acid

Guidance literature:: Multi-step reaction with 2 steps

1: 81.8 percent / aq. HCl

2: 81.7 percent / 190 - 200 °C / 5 Torr

With hydrogenchloride;
DOI:10.1021/ja00157a055

Reference yield:

: 1426135-65-0
N-(5-(N'-hydroxycarbamimidoyl)-2-methylphenyl)imidazo[1,2-a]pyridine-3-carboxamide

: 122665-96-7
3-fluorocyclobutane-1-carboxylic acid

: 1426448-27-2
N-{5-[5-(3-fluorocyclobutyl)-1,2,4-oxadiazol-3-yl]-2-methylphenyl}imidazo[1,2-a]pyridine-3-carboxamide

Guidance literature:: 3-fluorocyclobutane-1-carboxylic acid; With 1,1'-carbonyldiimidazole; In 1-methyl-pyrrolidin-2-one; for 0.0833333h;

N-(5-(N'-hydroxycarbamimidoyl)-2-methylphenyl)imidazo[1,2-a]pyridine-3-carboxamide; In 1-methyl-pyrrolidin-2-one; for 0.416667h;

In 1-methyl-pyrrolidin-2-one; at 120 ℃; for 0.166667h; Microwave irradiation;