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1-(2-pyridinyl)-Cyclopentanecarbonitrile, a chemical compound with the molecular formula C12H11N, is a member of the pyridine family. It is recognized for its unique structural and chemical properties, which make it a valuable building block in the synthesis of various biologically active molecules. Its versatility is particularly evident in the development of potential drugs and pharmaceuticals, with applications in diverse therapeutic areas such as oncology, neuroscience, and infectious diseases.

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  • 400727-04-0 Structure
  • Basic information

    1. Product Name: 1-(2-pyridinyl)-Cyclopentanecarbonitrile
    2. Synonyms: 1-(2-pyridinyl)-Cyclopentanecarbonitrile;Cyclopentanecarbonitrile, 1-(2-pyridinyl)-
    3. CAS NO:400727-04-0
    4. Molecular Formula: C11H12N2
    5. Molecular Weight: 172.22638
    6. EINECS: N/A
    7. Product Categories: N/A
    8. Mol File: 400727-04-0.mol
  • Chemical Properties

    1. Melting Point: N/A
    2. Boiling Point: 334.051°C at 760 mmHg
    3. Flash Point: 118.048°C
    4. Appearance: /
    5. Density: 1.097g/cm3
    6. Vapor Pressure: 0mmHg at 25°C
    7. Refractive Index: 1.553
    8. Storage Temp.: N/A
    9. Solubility: N/A
    10. PKA: 5.65±0.19(Predicted)
    11. CAS DataBase Reference: 1-(2-pyridinyl)-Cyclopentanecarbonitrile(CAS DataBase Reference)
    12. NIST Chemistry Reference: 1-(2-pyridinyl)-Cyclopentanecarbonitrile(400727-04-0)
    13. EPA Substance Registry System: 1-(2-pyridinyl)-Cyclopentanecarbonitrile(400727-04-0)
  • Safety Data

    1. Hazard Codes: N/A
    2. Statements: N/A
    3. Safety Statements: N/A
    4. WGK Germany:
    5. RTECS:
    6. HazardClass: N/A
    7. PackingGroup: N/A
    8. Hazardous Substances Data: 400727-04-0(Hazardous Substances Data)

400727-04-0 Usage

Uses

Used in Pharmaceutical Research and Development:
1-(2-pyridinyl)-Cyclopentanecarbonitrile is used as a key intermediate in the synthesis of new compounds for pharmaceutical research. Its unique structure allows for the development of potential therapeutic agents that can target a range of diseases and conditions.
Used in Organic Synthesis:
In the field of organic synthesis, 1-(2-pyridinyl)-Cyclopentanecarbonitrile serves as a versatile building block, enabling the creation of a variety of complex organic molecules with potential applications in various industries.
Used in Agrochemical Production:
1-(2-pyridinyl)-Cyclopentanecarbonitrile is utilized as an intermediate in the production of agrochemicals, contributing to the development of new compounds that can enhance crop protection and yield.
Used in Specialty Chemicals Manufacturing:
1-(2-pyridinyl)-Cyclopentanecarbonitrile also finds application in the manufacturing of specialty chemicals, where its unique properties are leveraged to create high-value products for specific industrial applications.

Check Digit Verification of cas no

The CAS Registry Mumber 400727-04-0 includes 9 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 6 digits, 4,0,0,7,2 and 7 respectively; the second part has 2 digits, 0 and 4 respectively.
Calculate Digit Verification of CAS Registry Number 400727-04:
(8*4)+(7*0)+(6*0)+(5*7)+(4*2)+(3*7)+(2*0)+(1*4)=100
100 % 10 = 0
So 400727-04-0 is a valid CAS Registry Number.
InChI:InChI=1/C11H12N2/c12-9-11(6-2-3-7-11)10-5-1-4-8-13-10/h1,4-5,8H,2-3,6-7H2

400727-04-0SDS

SAFETY DATA SHEETS

According to Globally Harmonized System of Classification and Labelling of Chemicals (GHS) - Sixth revised edition

Version: 1.0

Creation Date: Aug 18, 2017

Revision Date: Aug 18, 2017

1.Identification

1.1 GHS Product identifier

Product name 1-pyridin-2-ylcyclopentane-1-carbonitrile

1.2 Other means of identification

Product number -
Other names 1-pyridin-2-yl-cyclopentanecarbonitrile

1.3 Recommended use of the chemical and restrictions on use

Identified uses For industry use only.
Uses advised against no data available

1.4 Supplier's details

1.5 Emergency phone number

Emergency phone number -
Service hours Monday to Friday, 9am-5pm (Standard time zone: UTC/GMT +8 hours).

More Details:400727-04-0 SDS

400727-04-0Relevant articles and documents

Amide compound and derivative thereof, preparation method, pharmaceutical composition and application thereof

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Paragraph 0346-0349, (2021/07/09)

The invention discloses an amide compound and derivative thereof, a preparation method, a pharmaceutical composition and application thereof. The structure of the amide compound is shown as a formula (I). The derivatives of theamide compound relate to a stereoisomer, a tautomer, a metabolite, a metabolic precursor, a prodrug, a solvate, a salt of the solvate, a crystal, a pharmaceutically acceptable salt or a mixture of the above of theamide compound. The amide compound and the derivative thereof have an efficient inhibition effect on indoleamine 2, 3-dioxygenase 1, and can be used for preparing medicines for treating indoleamine 2, 3-dioxygenase 1 mediated immunosuppression related diseases, the prepared medicine can exert the medicine effect at the molecular level and is wide in application, and the synthesis method of the compound is simple, convenient and easy to operate.

FUSED [1,2,4]THIADIAZINE DERIVATIVES WHICH ACT AS KAT INHIBITORS OF THE MYST FAMILY

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Page/Page column 89, (2019/03/17)

A compound of formula (I): which inhibits the activity of one or more KATs of the MYST family, i.e., TIP60, KAT6B, MOZ, HBO1 and MOF.

PYRIMIDONE DERIVATIVES AND THEIR USE IN THE TREATMENT, AMELIORATION OR PREVENTION OF A VIRAL DISEASE

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Paragraph 1513-1515, (2014/07/22)

The present invention relates to a compound having the general formula (I), optionally in the form of a pharmaceutically acceptable salt, solvate, polymorph, codrug, cocrystal, prodrug, tautomer, racemate, enantiomer, or diastereomer or mixture thereof, which are useful in treating, ameloriating or preventing a viral disease. Furthermore, specific combination therapies are disclosed.

Lithium naphthalenide-induced reductive alkylation and addition of aryl-and heteroaryl-substituted dialkylacetonitriles

Tsao, Jing-Po,Tsai, Ting-Yueh,Chen, I-Chia,Liu, Hsing-Jang,Zhu, Jia-Liang,Tsao, Sheng-Wei

scheme or table, p. 4242 - 4250 (2011/02/25)

Lithium naphthalenide (LN)-induced reductive alkylation/addition reactions of aryl-, pyridyl-, and 2-thienyl-substituted dialkylacetonitriles have been investigated. Upon treatment with LN in THF at -40°C, both aryl and pyridyl precursors could undergo the reductive decyanation smoothly, and the in situ generated carbanions could be readily trapped by alkyl halides, ketones, aldehydes, or even oxygen to afford a wide range of functionalized aromatic derivatives bearing a newly established quaternary carbon. To effect the desired reductive alkylation of 2-thienyldialkylacetonitriles, a much lower temperature such as -100°C was required. Also with these substrates, an interesting ring-opening/S-alkylation process was observed when the reductive alkylation were performed at -78°C to give 1-alkylsulfanyl-1,3,4-trienes. A mechanistic discussion is given for this observation.

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