1-Phenylcyclopentanecarboxylic acid
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-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
(2)
Optimisation of the Anti-Trypanosoma brucei Activity of the Opioid Agonist U50488
Publication Name: ChemMedChem
Publication Date: 2011-08-10
PMID: 21834094
(3)
Publication Name: Journal of biomolecular screening
Publication Date: 2016-07
PMID: 26962873