Cas no 374795-89-8 (1-(3-fluorophenyl)-4-oxocyclohexane-1-carboxylic acid)
1-(3-Fluorophenyl)-4-oxocyclohexane-1-carboxylic acid is a fluorinated cyclohexane derivative with a ketone and carboxylic acid functional group, making it a versatile intermediate in organic synthesis. The presence of the 3-fluorophenyl substituent enhances its utility in pharmaceutical and agrochemical applications, where fluorinated compounds often exhibit improved metabolic stability and bioavailability. The cyclohexane scaffold provides structural rigidity, while the oxo and carboxyl groups offer reactive sites for further derivatization. This compound is particularly valuable in medicinal chemistry for the development of bioactive molecules, including enzyme inhibitors and receptor modulators. Its well-defined structure and functional group compatibility make it a reliable building block for research and industrial applications.
374795-89-8 structure
Product Name:1-(3-fluorophenyl)-4-oxocyclohexane-1-carboxylic acid
CAS No:374795-89-8
MF:C13H13FO3
MW:236.238927602768
MDL:MFCD17013938
CID:854152
PubChem ID:21955307
Update Time:2025-06-07
1-(3-fluorophenyl)-4-oxocyclohexane-1-carboxylic acid Chemical and Physical Properties
Names and Identifiers
-
- 1-(3-Fluorophenyl)-4-oxocyclohexanecarboxylic Acid
- METHYL 1-(3-FLUOROPHENYL)-4-OXOCYCLOHEXANECARBOXYLATE
- 1-(3-fluorophenyl)-4-oxocyclohexane-1-carboxylic acid
- DB-345222
- EN300-1848316
- 374795-89-8
- DTXSID90620731
- 1-(3-Fluorophenyl)-4-oxocyclohexanecarboxylicAcid
- CS-0269138
- AB90636
- SY020232
- SCHEMBL5768673
- MFCD17013938
- AKOS023451922
-
- MDL： MFCD17013938
- Inchi： 1S/C13H13FO3/c14-10-3-1-2-9(8-10)13(12(16)17)6-4-11(15)5-7-13/h1-3,8H,4-7H2,(H,16,17)
- InChI Key： WJOVDFRUNBGQSX-UHFFFAOYSA-N
- SMILES： FC1=CC=CC(=C1)C1(C(=O)O)CCC(CC1)=O
Computed Properties
- Exact Mass: 236.08500
- Monoisotopic Mass: 236.08487243g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 17
- Rotatable Bond Count: 2
- Complexity: 317
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 1.5
- Topological Polar Surface Area: 54.4?2
Experimental Properties
- Density: 1.3±0.1 g/cm3
- Melting Point: 250℃
- Boiling Point: 413.0±45.0 °C at 760 mmHg
- Flash Point: 203.6±28.7 °C
- PSA: 54.37000
- LogP: 2.29120
- Vapor Pressure: 0.0±1.0 mmHg at 25°C
1-(3-fluorophenyl)-4-oxocyclohexane-1-carboxylic acid Security Information
- Signal Word：warning
- Hazard Statement： H303May be harmful if swallowed+H313Skin contact may be harmful+H333Inhalation may be harmful to the body
- Warning Statement： P264+P280+P305+P351+P338+P337+P313
- Safety Instruction： H303+H313+H333
- Storage Condition：storage at -4℃ (1-2weeks), longer storage period at -20℃ (1-2years)
1-(3-fluorophenyl)-4-oxocyclohexane-1-carboxylic acid Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| Apollo Scientific | PC510125-5g |
1-(3-Fluorophenyl)-4-oxocyclohexanecarboxylic acid |
374795-89-8 | 5g |
￡693.00 | 2023-09-02 | ||
| eNovation Chemicals LLC | D254936-1g |
1-(3-Fluorophenyl)-4-oxocyclohexanecarboxylic Acid |
374795-89-8 | 95% | 1g |
$990 | 2024-07-20 | |
| Chemenu | CM318370-5g |
1-(3-fluorophenyl)-4-oxocyclohexane-1-carboxylic acid |
374795-89-8 | 95% | 5g |
$927 | 2024-07-17 | |
| Chemenu | CM318370-5g |
1-(3-fluorophenyl)-4-oxocyclohexane-1-carboxylic acid |
374795-89-8 | 95% | 5g |
$439 | 2021-06-15 | |
| Advanced ChemBlocks | O28234-250MG |
1-(3-Fluorophenyl)-4-oxocyclohexanecarboxylic acid |
374795-89-8 | 95% | 250MG |
$180 | 2023-09-15 | |
| Advanced ChemBlocks | O28234-1G |
1-(3-Fluorophenyl)-4-oxocyclohexanecarboxylic acid |
374795-89-8 | 95% | 1G |
$405 | 2023-09-15 | |
| Advanced ChemBlocks | O28234-5G |
1-(3-Fluorophenyl)-4-oxocyclohexanecarboxylic acid |
374795-89-8 | 95% | 5G |
$1,215 | 2023-09-15 | |
| Enamine | EN300-1848316-0.05g |
1-(3-fluorophenyl)-4-oxocyclohexane-1-carboxylic acid |
374795-89-8 | 0.05g |
$864.0 | 2023-09-19 | ||
| Enamine | EN300-1848316-0.1g |
1-(3-fluorophenyl)-4-oxocyclohexane-1-carboxylic acid |
374795-89-8 | 0.1g |
$904.0 | 2023-09-19 | ||
| Enamine | EN300-1848316-0.25g |
1-(3-fluorophenyl)-4-oxocyclohexane-1-carboxylic acid |
374795-89-8 | 0.25g |
$946.0 | 2023-09-19 |
1-(3-fluorophenyl)-4-oxocyclohexane-1-carboxylic acid Related Literature
-
Yukiya Kitayama Polym. Chem., 2014,5, 2784-2792
-
Yi Cao,Yujiao Xiahou,Lixiang Xing,Xiang Zhang,Hong Li,ChenShou Wu,Haibing Xia Nanoscale, 2020,12, 20456-20466
-
Gaurav J. Shah,Eric P.-Y. Chiou,Ming C. Wu,Chang-Jin “CJ” Kim Lab Chip, 2009,9, 1732-1739
-
Yaling Zhang,Chunhui Dai,Shiwei Zhou,Bin Liu Chem. Commun., 2018,54, 10092-10095
-
Shintaro Takata,Yoshihiro Miura Phys. Chem. Chem. Phys., 2014,16, 24784-24789
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