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.