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2-Chloropyridine-4-carboxylic acid tert-butyl ester, also known as Boc-2-chloro-4-picolinic acid, is a white crystalline chemical compound with a molecular formula of C11H13ClN2O2 and a molecular weight of 234.68 g/mol. It is soluble in organic solvents such as acetone and ethanol. 2-Chloropyridine-4-carboxylic acid tert-butyl ester serves as a versatile building block in the synthesis of pharmaceuticals, agrochemicals, and dyes, thanks to the increased stability and protection provided by the tert-butyl ester group to the carboxylic acid functionality.

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  • 295349-62-1 Structure
  • Basic information

    1. Product Name: 2-Chloropyridine-4-carboxylic acid tert-butyl ester
    2. Synonyms: 2-CHLORO-4-PYRIDINECARBOXYLIC ACID 1,1-DIMETHYLETHYL ESTER;2-CHLOROISONICOTINIC ACID T-BUTYL ESTER;2-CHLOROISONICOTINIC ACID TERT-BUTYL ESTER;2-CHLOROPYRIDINE-4-CARBOXYLIC ACID TERT-BUTYL ESTER;tert-Butyl 2-chloropyridine-4-carboxylate;2-CHLORO-4-PYRIDINECARBOXYLIC ACID1,1-D;2-Chloro-4-pyridinecaroboxylic acid methyl ester;2-Chloropyridine-4-carbox...
    3. CAS NO:295349-62-1
    4. Molecular Formula: C10H12ClNO2
    5. Molecular Weight: 213.66
    6. EINECS: N/A
    7. Product Categories: Pyridine;Heterocycle-Pyridine series
    8. Mol File: 295349-62-1.mol
  • Chemical Properties

    1. Melting Point: N/A
    2. Boiling Point: 287.439 °C at 760 mmHg
    3. Flash Point: 127.639 °C
    4. Appearance: /
    5. Density: 1.174 g/cm3
    6. Vapor Pressure: 0.00248mmHg at 25°C
    7. Refractive Index: 1.514
    8. Storage Temp.: under inert gas (nitrogen or Argon) at 2-8°C
    9. Solubility: N/A
    10. PKA: -1.27±0.10(Predicted)
    11. CAS DataBase Reference: 2-Chloropyridine-4-carboxylic acid tert-butyl ester(CAS DataBase Reference)
    12. NIST Chemistry Reference: 2-Chloropyridine-4-carboxylic acid tert-butyl ester(295349-62-1)
    13. EPA Substance Registry System: 2-Chloropyridine-4-carboxylic acid tert-butyl ester(295349-62-1)
  • 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: 295349-62-1(Hazardous Substances Data)

295349-62-1 Usage

Uses

Used in Pharmaceutical Industry:
2-Chloropyridine-4-carboxylic acid tert-butyl ester is used as a key intermediate in the synthesis of various pharmaceutical compounds. Its unique structure and reactivity make it suitable for the development of new drugs with potential therapeutic applications.
Used in Agrochemical Industry:
In the agrochemical sector, 2-Chloropyridine-4-carboxylic acid tert-butyl ester is utilized as a building block for the synthesis of agrochemicals, such as pesticides and herbicides. Its chemical properties allow for the creation of effective compounds that can protect crops and enhance agricultural productivity.
Used in Dye Industry:
2-Chloropyridine-4-carboxylic acid tert-butyl ester is employed as a starting material in the production of dyes. Its ability to form various chemical derivatives makes it a valuable component in the synthesis of dyes with specific color properties and applications in different industries, such as textiles and printing.

Check Digit Verification of cas no

The CAS Registry Mumber 295349-62-1 includes 9 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 6 digits, 2,9,5,3,4 and 9 respectively; the second part has 2 digits, 6 and 2 respectively.
Calculate Digit Verification of CAS Registry Number 295349-62:
(8*2)+(7*9)+(6*5)+(5*3)+(4*4)+(3*9)+(2*6)+(1*2)=181
181 % 10 = 1
So 295349-62-1 is a valid CAS Registry Number.
InChI:InChI=1/C10H12ClNO2/c1-10(2,3)14-9(13)7-4-5-12-8(11)6-7/h4-6H,1-3H3

295349-62-1SDS

SAFETY DATA SHEETS

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

Version: 1.0

Creation Date: Aug 19, 2017

Revision Date: Aug 19, 2017

1.Identification

1.1 GHS Product identifier

Product name tert-butyl 2-chloropyridine-4-carboxylate

1.2 Other means of identification

Product number -
Other names 2-Chloro-4-pyridinecaroboxylicacidmethylester

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:295349-62-1 SDS

295349-62-1Relevant articles and documents

Novel S1P1 receptor agonists - Part 3: From thiophenes to pyridines

Bolli, Martin H.,Abele, Stefan,Birker, Magdalena,Bravo, Roberto,Bur, Daniel,De Kanter, Ruben,Kohl, Christopher,Grimont, Julien,Hess, Patrick,Lescop, Cyrille,Mathys, Boris,Müller, Claus,Nayler, Oliver,Rey, Markus,Scherz, Michael,Schmidt, Gunther,Seifert, Jürgen,Steiner, Beat,Velker, J?rg,Weller, Thomas

supporting information, p. 110 - 130 (2014/02/14)

In preceding communications we summarized our medicinal chemistry efforts leading to the identification of potent, selective, and orally active S1P 1 agonists such as the thiophene derivative 1. As a continuation of these efforts, we replaced the thiophene in 1 by a 2-, 3-, or 4-pyridine and obtained less lipophilic, potent, and selective S1P1 agonists (e.g., 2) efficiently reducing blood lymphocyte count in the rat. Structural features influencing the compounds' receptor affinity profile and pharmacokinetics are discussed. In addition, the ability to penetrate brain tissue has been studied for several compounds. As a typical example for these pyridine based S1P 1 agonists, compound 53 showed EC50 values of 0.6 and 352 nM for the S1P1 and S1P3 receptor, respectively, displayed favorable PK properties, and penetrated well into brain tissue. In the rat, compound 53 maximally reduced the blood lymphocyte count for at least 24 h after oral dosing of 3 mg/kg.

PYRIDIN-4-YL DERIVATIVES

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Page/Page column 17; 18, (2014/09/29)

The invention relates to compounds of the Formula (I), Formula (I) wherein R1 and R2 are as described in the description, their preparation and their use as pharmaceutically active compounds. Said compounds particularly act as immuno

Discovery of novel series of 6-benzyl substituted 4-aminocarbonyl-1,4- diazepane-2,5-diones as human chymase inhibitors using structure-based drug design

Tanaka, Taisaku,Sugawara, Hajime,Maruoka, Hiroshi,Imajo, Seiichi,Muto, Tsuyoshi

, p. 4233 - 4249 (2013/07/27)

A novel series of 6-benzyl substituted 4-aminocarbonyl-1,4-diazepane-2,5- diones were explored as human chymase inhibitors using structure-based drug design according to the X-ray cocrystal structure of chymase and compound 1. The optimization focused on

PTERIDINES AND THEIR USE AS AGROCHEMICALS

-

Page/Page column 29, (2011/04/14)

The present disclosure relates to 1- or 2-(4-(aryloxy)-phenyl)ethylamino-, oxy- or sulfanyl)pteridines and 1- or 2-(4-(heteroaryloxy)-phenyl)ethylamino-, oxy- or sulfanyl)pteridines and their use as agrochemicals and animal health products.

PTERIDINES AND THEIR USE AS AGROCHEMICALS

-

Page/Page column 62, (2011/04/14)

The present disclosure relates to 1- or 2-(4-(aryloxy)-phenyl)ethylamino-, oxy- or sulfanyl)pteridines and 1- or 2-(4-(heteroaryloxy)-phenyl)ethylamino-, oxy- or sulfanyl)pteridines and their use as agrochemicals and animal health products.

Development of a scalable synthesis of dipeptidyl peptidase-4 inhibitor ABT-279

McDermott, Todd S.,Bhagavatula, Lakshmi,Borchardt, Thomas B.,Engstrom, Kenneth M.,Gandarilla, Jorge,Kotecki, Brian J.,Kruger, Albert W.,Rozema, Michael J.,Sheikh, Ahmad Y.,Wagaw, Seble H.,Wittenberger, Steven J.

experimental part, p. 1145 - 1155 (2010/04/22)

A convergent, scalable synthesis of dipeptidyl peptidase-4 inhibitor, ABT-279, has been developed and demonstrated on multikilogram scale. The cis-2,5-disubstituted pyrrolidine is generated by cyclization of a Boc-amine onto an alkynyl ketone followed by stereospecific reduction of the resulting acyliminium intermediate. The amine coupling partner was prepared by a novel Hofmann rearrangement promoted by 1,3-dibromo-5,5-dimethylhydantoin. The final product was isolated as the L-malic acid salt. The scaleup campaign consisted of 15 steps and delivered 42 kg of ABT-279 in 14% overall yield. A second-generation synthesis that addresses some of the issues encountered during scale-up was developed and demonstrated on kilogram scale.

SYNTHESIS OF (2S,5R)-5-ETHYNYL-1-{N-(4-METHYL-1-(4-CARBOXY-PYRIDIN-2-YL)PIPERIDIN-4-YL)GLYCYL}PYRROLIDINE-2-CARBONITRILE

-

Page/Page column 37, (2008/06/13)

A process for making (2S,5R)-5-ethynyl-1-{N-(4-methyl-1-(4-carboxy-pyridin-2-yl)piperidin-4-yl)glycyl}pyrrolidine-2-carbonitrile and salts thereof, and intermediates used in the process are disclosed.

Macrocyclic Compounds Useful as Bace Inhibitors

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Page/Page column 28, (2008/12/05)

The invention relates to novel macrocyclic compounds of the formula (I), in which all of the variables are as defined in the specification, the number of ring atoms included in the macrocyclic ring being 14, 15, 16 or 17, in free base form or in acid addition salt form, to their preparation, to their use as medicaments and to medicaments comprising them.

HETEROCYCLIC CYTOKINE INHIBITORS

-

Page/Page column 132, (2010/11/27)

The present invention provides low molecular weight compounds useful as cytokine inhibitors, and compositions thereof. In particular, compounds of the invention are useful as anti-inflammatory, anti-pain or anti-cancer agents. There are further provided m

Amide derivatives

-

, (2008/06/13)

The invention concerns amide derivatives of the Formula I wherein X is CH or N; Y is CH or N; m is 0-3; R1is a group such as hydroxy, halogeno, trifluoromethyl, cyano, mercapto, nitro, amino, carboxy and carbamoyl; n is 0-3; R2is a group such as hydroxy, halogeno, trifluoromethyl, cyano, mercapto, nitro, amino, carboxy and (1-6C)alkoxycarbonyl; R3is hydrogen, halogeno, (1-6C)alkyl or (1-6C)alkoxy; q is 0-4; and Q is a group such as aryl, aryloxy, aryl-(1-6C)alkoxy, arylamino,N-(1-6C)alkyl-arylamino and aryl-(1-6C)alkylamino; or pharmaceutically-acceptable salts or in-vivo-cleavable esters thereof; processes for their preparation, pharmaceutical compositions containing them and their use in the treatment of diseases or medical conditions mediated by cytokines.

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