Cyclopentane-1-carboxylic acid methyl este

What is Cyclopentane-1-carboxylic acid methyl este, cas no. 4630-80-2,a producer telling you the result.

  CAS NO. 4630-80-2

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To begin with, let us tell you what is the basic information of  Cyclopentane-1-carboxylic acid methyl este CAS NO. 4630-80-2 ?

 

Molecular Weight

128.169

Flash Point

43.6±6.0 °C

Density

1.0±0.1 g/cm3

Boiling Point

159.0±8.0 °C at 760 mmHg

Molecular Formula

C7H12O2

Melting Point

77-78ºC

 

Like many stuff, it has many synonyms as follows

EINECS 225-049-7

MFCD00019290

Cyclopentanecarboxylic acid, methyl ester

Cyclopentanecarboxylic Acid Methyl Ester

 

Methyl cyclopentanecarboxylate

The chemical is very special

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toxicology data

 

Main irritant effects

On the skin: may cause inflammation

On the eyes: may cause inflammation

Sensitizing effect: No known sensitization effect

 

Ecological data

 

This substance may be harmful to the environment and special attention should be paid to water bodies

 

Molecular structure data

1. Molar refractive index: 34.00

2. Molar volume (m3/mol): 126.3

3. Isometric volume (90.2K): 304.2

4. Surface tension (dyne/cm): 33.6

5. Polarization rate (10-24cm3): 13.48

 

Computational Chemistry Data

1. Reference value for hydrophobic parameter calculation (XlogP): 1.7

2. Number of hydrogen bond donors: 0

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 26.3

7. Number of heavy atoms: 9

8. Surface charge: 0

9. Complexity: 104

10. Isotope atomic number: 0

11. Determine the number of atomic structure centers: 0

12. Number of uncertain atomic structure centers: 1

13. Determine the number of chemical bond stereocenters: 0

14. Uncertain number of 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 Cyclopentane-1-carboxylic acid methyl este CAS NO. 4630-80-2  as follows

 

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Third, what is the usage of  Cyclopentane-1-carboxylic acid methyl este CAS NO. 4630-80-2 ?  pleas see below

 

Main Usage:

 

As an important pharmaceutical intermediate, as it can be used to prepare rosolitinib and as an intermediate in organic synthesis

 

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Other usages as below

 

Can be used for the synthsis of the chemical, 2-Azaspiro[4.4]nonan-1-one, Cas No.:. 1004-51-9

 

Can be used for the synthsis of the chemical Cyclopentanecarbohydrazide ,Cas No.: 3400-07-5

Can be used for the synthsis of the chemical, 2-cyclopentylpropan-2-ol Cas No.:. 1462-06-2

 

Besides Safety Information of Cyclopentane-1-carboxylic acid methyl este CAS NO. 4630-80-2 is also important when handling it

Safety Phrases

S24/25

HS Code

2916209090

 

What is the appearance of Cyclopentane-1-carboxylic acid methyl este CAS NO. 4630-80-2 ?   Please see the picture of Cyclopentane-1-carboxylic acid methyl este CAS NO. 4630-80-2, below

 

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Specification of Cyclopentane-1-carboxylic acid methyl este CAS NO. 4630-80-2, is below

Apperance: Colorless crystal solid (in 25)

Assay: 98 % min by GC

IR identity: conform


HNMR  picture of 
Cyclopentane-1-carboxylic acid methyl este CAS NO. 4630-80-2 is as follows,

 

Reference of  Article cited for your reference below,

(1)

 

(2)

A kind of preparation method of Ruxolitinib intermediate

Publication Number: CN-115028638-A

Priority Date: 2022-06-09

 

(3)

Catalyst composition for alkoxycarbonylation of olefins and its preparation method and application

Publication Number: CN-114308129-B

Priority Date: 2021-11-24

Grant Date: 2022-12-06