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5-Cyano-3-pyridinecarboxylic acid methyl ester is a chemical compound with the formula C8H6N2O2. It is an ester of cyano-pyridinecarboxylic acid, characterized by its antifungal and antibacterial properties. This versatile compound serves as an intermediate in the synthesis of pharmaceuticals and agrochemicals, and is also utilized as a building block in the production of various fine chemicals. Its applications extend to organic synthesis and research and development, particularly in the field of medicinal chemistry.

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  • 106726-82-3 Structure
  • Basic information

    1. Product Name: 5-CYANO-3-PYRIDINECARBOXYLIC ACID METHYL ESTER
    2. Synonyms: 5-CYANO-3-PYRIDINECARBOXYLIC ACID METHYL ESTER;METHYL-5-CYANOPYRIDINE-3-CARBOXYLATE;Methyl 5-cyano-pyridin-3-carboxylate;5-Cyanonicotinic acid methyl ester
    3. CAS NO:106726-82-3
    4. Molecular Formula: C8H6N2O2
    5. Molecular Weight: 162.15
    6. EINECS: 125-856-9
    7. Product Categories: Pyridine series
    8. Mol File: 106726-82-3.mol
  • Chemical Properties

    1. Melting Point: N/A
    2. Boiling Point: 269.235 °C at 760 mmHg
    3. Flash Point: 116.629 °C
    4. Appearance: /
    5. Density: 1.256 g/cm3
    6. Vapor Pressure: 0.00734mmHg at 25°C
    7. Refractive Index: 1.535
    8. Storage Temp.: Inert atmosphere,Room Temperature
    9. Solubility: N/A
    10. PKA: -0.25±0.20(Predicted)
    11. CAS DataBase Reference: 5-CYANO-3-PYRIDINECARBOXYLIC ACID METHYL ESTER(CAS DataBase Reference)
    12. NIST Chemistry Reference: 5-CYANO-3-PYRIDINECARBOXYLIC ACID METHYL ESTER(106726-82-3)
    13. EPA Substance Registry System: 5-CYANO-3-PYRIDINECARBOXYLIC ACID METHYL ESTER(106726-82-3)
  • 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: 106726-82-3(Hazardous Substances Data)

106726-82-3 Usage

Uses

Used in Pharmaceutical Industry:
5-Cyano-3-pyridinecarboxylic acid methyl ester is used as an intermediate in the synthesis of various pharmaceuticals for its ability to contribute to the development of new medications with antifungal and antibacterial properties.
Used in Agrochemical Industry:
In the agrochemical sector, 5-Cyano-3-pyridinecarboxylic acid methyl ester is employed as an intermediate in the production of agrochemicals, leveraging its antifungal and antibacterial characteristics to enhance crop protection products.
Used in Fine Chemicals Production:
5-CYANO-3-PYRIDINECARBOXYLIC ACID METHYL ESTER is used as a building block in the creation of a variety of fine chemicals, highlighting its importance in the chemical manufacturing process.
Used in Organic Synthesis:
5-Cyano-3-pyridinecarboxylic acid methyl ester is utilized in organic synthesis, where its unique structure and properties are key to forming complex organic molecules.
Used in Research and Development:
In the realm of research and development, particularly medicinal chemistry, 5-cyano-3-pyridinecarboxylic acid methyl ester is used for its potential to contribute to the discovery and design of novel therapeutic agents.

Check Digit Verification of cas no

The CAS Registry Mumber 106726-82-3 includes 9 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 6 digits, 1,0,6,7,2 and 6 respectively; the second part has 2 digits, 8 and 2 respectively.
Calculate Digit Verification of CAS Registry Number 106726-82:
(8*1)+(7*0)+(6*6)+(5*7)+(4*2)+(3*6)+(2*8)+(1*2)=123
123 % 10 = 3
So 106726-82-3 is a valid CAS Registry Number.
InChI:InChI=1/C8H6N2O2/c1-12-8(11)7-2-6(3-9)4-10-5-7/h2,4-5H,1H3

106726-82-3SDS

SAFETY DATA SHEETS

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

Version: 1.0

Creation Date: Aug 15, 2017

Revision Date: Aug 15, 2017

1.Identification

1.1 GHS Product identifier

Product name Methyl 5-cyanonicotinate

1.2 Other means of identification

Product number -
Other names methyl 5-cyanopyridine-3-carboxylate

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:106726-82-3 SDS

106726-82-3Relevant articles and documents

Application of polymer-supported triphenylphosphine and microwave irradiation to the palladium-catalyzed cyanation of aryl triflates

Srivastava, Rajiv R.,Zych, Andrew J.,Jenkins, David M.,Wang, Hong-Jun,Chen, Zhen-Jia,Fairfax, David J.

, p. 431 - 438 (2007)

A variety of aryl nitriles were prepared in excellent yield from the palladium(II) acetate-catalyzed cross-coupling of aryl triflates and zinc cyanide under microwave irradiation conditions. To facilitate purification, polymer-supported triphenylphosphine was used as the palladium ligand. Comparison to the corresponding thermal conditions revealed much shorter reaction times with comparable yields. Copyright Taylor & Francis Group, LLC.

COMPOUNDS AND METHODS for the inhibition of HDAC

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Paragraph 0149-0150, (2015/11/24)

Disclosed are compounds having the formula: wherein X1, X2, X3, R1, R2, R3, R4, Y, A, Z, L and n are as defined herein, and methods of making and using the same.

CB1 MODULATOR COMPOUNDS

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Page/Page column 66, (2008/06/13)

Novel compounds of structural formula (I) are disclosed. As modulators of the Cannabinoid-1 (CB1) receptor, these compounds are useful in the treatment, prevention and suppression of diseases mediated by the CB1 receptor. As such, compounds of the present invention are useful as in the treatment, prevention and suppression of psychosis, memory deficits, cognitive disorders, migraine, neuropathy, neuro-inflammatory disorders (e.g., multiple sclerosis, Guillain-Barre syndrome and the inflammatory sequelae of viral encephalitis), cerebral vascular accidents, head trauma, anxiety disorders, stress, epilepsy, Parkinson's disease, and schizophrenia. The compounds are also useful for the treatment of substance abuse disorders, particularly to opiates, alcohol, and nicotine. The compounds are also useful for the treatment of obesity or eating disorders associated with excessive food intake and complications associated therewith.

Pyridinecarboxyimidamide compounds and the use thereof

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, (2008/06/13)

Disclosed are pyridinecarboximidamides having a vasodilating effect (hypotensive activity or antianginal activity), and acid adduct salts thereof. STR1 wherein when R1 represents an alkyl, hydroxyalkyl, carboxyl, amino, acylamino, alkylamino, dialkylamino, aralkylamino, alkylsulfonamide, bisalkylsulfonylamino or hydroxyl group, R2 represents a hydrogen atom and R3 represents a nitroxyl, 2-chlorophenyl or phenyl group; and when R1 represents a hydrogen atom, R2 represents an alkyl, hydroxyalkyl, carboxyl, amino, acylamino, alkylamino, dialkylamino, aralkylamino, alkylsulfonamide, bisalkylsulfonylamino or hydroxyl group and R3 represents a nitroxyl, 2-chlorophenyl or phenyl group. There is also disclosed the use of the compounds represented by the formula (I) for antihypertensive or antianginal purpose.

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