1-Phenylcyclopentanecarboxylic acid

What is 1-Phenylcyclopentanecarboxylic acid , cas no. 77-55-4,a producer telling you the result.

 CAS NO. 77-55-4

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To begin with, let us tell you what is the basic information of  1-Phenylcyclopentanecarboxylic acid Cas No. 77-55-4 ?

 

Molecular Formula

C12H14O2

Molecular Weight

190.238

Density

1.2±0.1 g/cm3

Boiling Point

338.8±21.0 °C at 760 mmHg

Melting Point

159-161 °C(lit.)

MDL NO.

MFCD00001372

 

 

Like many stuff, it has many synonyms as follows

EINECS 201-037-7

Cyclopentanecarboxylic acid, 1-phenyl-

1-Phenylcyclopentanecarboxylic acid

1-phenylcyclopentane-1-carboxylic acid

 

 

The chemical is very special

 

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Molecular Property Data:

1. Molar refractive index: 53.51

2. Molar volume (m3/mol): 163.5

3. Isometric volume (90.2K): 433.0

4. Surface tension (dyne/cm): 49.0

5. Polarization rate (10-24cm3): 21.21

Computational Chemistry Data

1. Reference value for hydrophobic parameter calculation (XlogP): 2.8

2. Number of hydrogen bond donors: 1

3. Number of hydrogen bond receptors: 2

4. Number of rotatable chemical bonds: 2

5. Number of tautomers: None

6. Topological molecule polarity 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 structure centers: 0

12. Number of uncertain atomic structure centers: 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

 

Second, the Synthetic Route we will recommend is the most important for your reference?

 

 

First, synthesis line of 1-Phenylcyclopentanecarboxylic acid Cas No. 77-55-4 as follows

 

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1-Phenyl-1-cyanocyclopentane was heated to 160-180 in sodium hydroxide solution, reacted for 5 hours, diluted with water, boiled with activated carbon for decolorization, filtered, and the filtrate was added with concentrated hydrochloric acid to pH=3. After filtration, the filtrate was washed with hot water to neutral and dried to obtain 1-Phenylcyclopentane carbonyl acid

 

 

Other synthesis lines of 1-Phenylcyclopentanecarboxylic acid Cas No. 77-55-4, as follows

 

 

Third, what is the usage of 1-Phenylcyclopentanecarboxylic acid Cas No. 77-55-4  pleas see below

 

Main Usage:

Intermediate of cough suppressants Kemeifen and Kebiqing

 

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Other usages as below

 

One kind of raw material for producing  2-(diethylamino)ethyl 1-(4-iodophenyl)cyclopentane-1-carboxylate  cas no 135569-31-2 ,which is as follows

 

One kind of raw material for producing 

 

(6R,7R)-3-methyl-8-oxo-7-[(1-phenylcyclopentanecarbonyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid   cas no 108098-25-5  which is as follows

 

Besides Safety Information of 2-Phenylbutyric acid Cas No. 90-27-7 is also important when handling it

Hazard Codes

Xi

H.S. Code

2916399090

 

What is the appearance of  1-Phenylcyclopentanecarboxylic acid Cas No. 77-55-4 ?   Please see the picture of 1-Phenylcyclopentanecarboxylic acid Cas No. 77-55-4, below

 

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Specification of 1-Phenylcyclopentanecarboxylic acid Cas No. 77-55-4, is below

Apperance: White to Light yellow powder to crystal

Assay: 98 % min by GC

IR identity: conform

Water by KF:0.5% max.

HNMR  picture of  1-Phenylcyclopentanecarboxylic acid Cas No. 77-55-4 is as follows,

 

IR  picture of  1-Phenylcyclopentanecarboxylic acid Cas No. 77-55-4 is as follows,

 

Reference of  Article cited for your reference below,

(1)

Construction of Adjacent Quaternary Stereocenters

Publication Name: Synfacts

Publication Date: 2017-01-18

DOI: 10.1055/s-0036-1589864

(2)

Optimisation of the Anti-Trypanosoma brucei Activity of the Opioid Agonist U50488

Publication Name: ChemMedChem

Publication Date: 2011-08-10

PMID: 21834094

DOI: 10.1002/cmdc.201100278

(3)

A High-Throughput Screening Strategy to Identify Protein-Protein Interaction Inhibitors That Block the Fanconi Anemia DNA Repair Pathway

Publication Name: Journal of biomolecular screening

Publication Date: 2016-07

PMID: 26962873

DOI: 10.1177/1087057116635503