1-Phenylcyclopentane-1-carboxylic acid 1-Phenylcylclopentane-1-carboxylic Acid
Structural formula
| Business number | 01LW |
|---|---|
| Molecular formula | C12H14O2 |
| Molecular weight | 190.24 |
| label |
1-phenylcyclopentanecarboxylic acid, 1-phenylcyclopentacarboxylic acid, 1-phenylcyclopentylcarboxylic acid, 1-phenylcyclopentanoic acid, phenylcyclopentanoic acid, 1-phenyl-1-cyclopentanecarboxylic acid, 1-Phenyl-1-cyclopentanecarboxylic acid, 1-Phenylcyclopentane-carboxylic acid, Cyclopentanecarboxylic acid, 1-phenyl-, C6H5C5H8CO2H |
Numbering system
CAS number:77-55-4
MDL number:MFCD00001372
EINECS number:201-037-7
RTECS number:None
BRN number:1638653
PubChem number:24848457
Physical property data
1. Physical property data
1. Character: Uncertain.
2. Density (g/mL,25/4℃): Unsure
3. Relative vapor density (g/mL,AIR=1): Unsure
4. Melting point (ºC):158 -159℃
5. Boiling point (ºC,Normal pressure): Uncertain
6. Boiling point (ºC,5.2kPa): Unsure
7. Refractive index: Uncertain
8. Flash Point (ºC): Unsure
9. Specific optical rotation (º): Unsure
10. Autoignition point or ignition temperature (ºC): Unsure
11. Vapor pressure (kPa,25ºCMolar volume (m3/mol): 163.5
3. isotonic specific volume (90.2K):433.0
4. Surface Tension (dyne/cm):49.0
5. Polarizability（10-24cm3):21.21
Compute chemical data
1. Reference value for hydrophobic parameter calculation (XlogP): 2.8
2. Number of hydrogen bond donors: 1
3. Number of hydrogen bond acceptors: 2
4. Number of rotatable chemical bonds: 2
5. Number of tautomers: none
6. Topological molecule polar surface area 37.3
7. Number of heavy atoms: 14
8. Surface charge: 0
9. Complexity: 210
10. Number of isotope atoms: 0
11. Determine the number of atomic stereocenters: 0
12. Uncertain number of atomic stereocenters: 0
13. Determine the number of chemical bond stereocenters: 0
14. Number of uncertain chemical bond stereocenters: 0
15. Number of covalent bond units: 1
Properties and stability
None yet
Storage method
this The product should be sealed and stored in a cool place.
Synthesis method
1-phenyl-1-Cyanocyclopentane is heated in sodium hydroxide solution to160-180℃,reaction5hthen add water to dilute, add activated carbon to boil and decolorize, filter, add concentrated hydrochloric acid to the filtrate topH=3, filter, wash the filtrate with hot water until neutral, dry, get1-Phenylcyclopentanecarbonylic acid.
Purpose
Cough relief Intermediate of Kemeifen and Kebiqing.
w Roman’; mso-ansi-language: EN-US; mso-fareast-language: ZH-CN; mso-bidi-language: AR-SA”>phenyl-1-Cyanocyclopentane is heated in sodium hydroxide solution to160-180℃, reaction5hAdd water to dilute, add activated carbon to boil for decolorization, filter, add concentrated hydrochloric acid to the filtratepH=3, filter, wash the filtrate with hot water until neutral, and dry to obtain1-Phenylcyclopentanecarbonylic acid.
Purpose
Cough relief Intermediate of Kemeifen and Kebiqing.
