1-Phenylcyclopentane-1-carboxylic acid 1-Phenylcylclopentane-1-carboxylic Acid

Structural formula

• Numbering system
• Physical property data
• Toxicological data
• Ecological data
• Molecular structure data
• Computing chemical data
• More
  • Properties and Stability
  • Storage method
  • Synthesis method
  • Purpose

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.