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6-Chloronicotinic acid tert-butyl ester is a white solid chemical compound with the molecular formula C11H13ClNO2, belonging to the class of organic compounds known as pyridine carboxylic acids. It is a derivative of nicotinic acid and has a molecular weight of 235.68 g/mol. The tert-butyl ester group in its structure provides stability and protection to the carboxylic acid functionality, while the chlorine atom introduces unique reactivity and pharmacological properties, making it a valuable building block in organic synthesis and an important compound for the development of novel drugs and biologically active molecules.

115309-57-4

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115309-57-4 Usage

Uses

Used in Pharmaceutical Industry:
6-Chloronicotinic acid tert-butyl ester is used as an intermediate in the synthesis of pharmaceuticals for its unique reactivity and pharmacological properties. The tert-butyl ester group allows for the protection of the carboxylic acid functionality during the synthesis process, enabling the development of novel drugs and biologically active molecules.
Used in Agrochemical Industry:
6-Chloronicotinic acid tert-butyl ester is used as an intermediate in the synthesis of agrochemicals, contributing to the development of new and effective compounds for agricultural applications. Its unique structure and reactivity make it a valuable building block in the creation of innovative agrochemicals.
Used in Organic Synthesis:
6-Chloronicotinic acid tert-butyl ester is used as a valuable building block in organic synthesis due to its stability and protection provided by the tert-butyl ester group. This allows for the development of various organic compounds with potential applications in different industries.

Check Digit Verification of cas no

The CAS Registry Mumber 115309-57-4 includes 9 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 6 digits, 1,1,5,3,0 and 9 respectively; the second part has 2 digits, 5 and 7 respectively.
Calculate Digit Verification of CAS Registry Number 115309-57:
(8*1)+(7*1)+(6*5)+(5*3)+(4*0)+(3*9)+(2*5)+(1*7)=104
104 % 10 = 4
So 115309-57-4 is a valid CAS Registry Number.

115309-57-4SDS

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 6-chloropyridine-3-carboxylate

1.2 Other means of identification

Product number -
Other names 6-CHLORONICOTINIC ACID TERT-BUTYL ESTER

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:115309-57-4 SDS

115309-57-4Relevant academic research and scientific papers

Kilogram synthesis of a second-generation LFA-1/ICAM inhibitor

Delmonte, Albert J.,Fan, Yu.,Girard, Kevin P.,Jones, Gregory S.,Waltermire, Robert E.,Rosso, Victor,Wang, Xuebao

, p. 64 - 72 (2011)

The process development and the kilogram-scale synthesis of BMS-688521 (1) are described. The synthesis features a highly efficient telescoped sequence which utilizes previously described spirocyclic hydantoin (4b) to produce the final intermediate via an

PHD INHIBITOR COMPOUNDS, COMPOSITIONS, AND THEIR USE

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Paragraph 0338-0339, (2021/09/26)

The present invention provides, in part, novel small molecule inhibitors of PHD, having a structure according to Formula (A), and sub-formulas thereof: or a pharmaceutically acceptable salt thereof. The compounds provided herein can be useful for treatmen

PHD INHIBITOR COMPOUNDS, COMPOSITIONS, AND USE

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Paragraph 0407-0408, (2021/09/26)

The present invention provides, in part, novel small molecule inhibitors of PHD, having a structure according to Formula (A), and sub-formulas thereof: or a pharmaceutically acceptable salt thereof. The compounds provided herein can be useful for treatment of diseases including heart ( e.g. ischemic heart disease, congestive heart failure, and valvular heart disease), lung (e.g., acute lung injury, pulmonary hypertension, pulmonary fibrosis, and chronic obstructive pulmonary disease), liver (e.g. acute liver failure and liver fibrosis and cirrhosis), and kidney (e.g. acute kidney injury and chronic kidney disease) disease.

PHD INHIBITOR COMPOUNDS, COMPOSITIONS, AND USE

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Paragraph 0339-0340; 0369-0370; 0563-0564, (2021/09/26)

The present invention provides, in part, novel small molecule inhibitors of PHD, having a structure according to Formula (A), and sub-formulas thereof, or a pharmaceutically acceptable salt thereof. The compounds provided herein can be useful for treatmen

Synthetic method for 1-(ethoxycarbonyl)imidazo[1,5]pyridine-6-carboxylic acid

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Paragraph 0007, (2019/10/01)

The invention relates to a synthetic method for 1-(ethoxycarbonyl)imidazo[1,5]pyridine-6-carboxylic acid, and mainly solves the technical problem that a current method is not suitable for industrial synthesis. The method comprises the following three steps: step 1, firstly performing a reaction on a compound 1 and di-tert-butyl dicarbonate in solvent tetrahydrofuran under the action of 4-dimethylaminopyridine to obtain a compound 2; step2, performing a reaction on the compound 2 and ethyl cyanoacetate in solvent N,N-dimethylformamide under the action of cesium carbonate to obtain a compound 3;and step 3, performing a reaction on the compound 3 under the action of hydrochloric acid-ethyl acetate to obtain the 1-(ethoxycarbonyl)imidazo[1,5]pyridine-6-carboxylic acid. The reaction formula isshown in the description.

CEREBLON LIGANDS AND BIFUNCTIONAL COMPOUNDS COMPRISING THE SAME

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Paragraph 0897; 0909; 0910; 0911; 0912; 0913; 0914, (2018/08/20)

The description relates to cereblon E3 ligase binding compounds, including bifunctional compounds comprising the same, which find utility as modulators of targeted ubiquitination, especially inhibitors of a variety of polypeptides and other proteins which are degraded and/or otherwise inhibited by bifunctional compounds according to the present disclosure. In particular, the description provides compounds, which contain on one end a ligand which binds to the cereblon E3 ubiquitin ligase and on the other end a moiety which binds a target protein such that the target protein is placed in proximity to the ubiquitin ligase to effect degradation (and inhibition) of that protein. Compounds can be synthesized that exhibit a broad range of pharmacological activities consistent with the degradation/inhibition of targeted polypeptides of nearly any type.

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

Preparation of 2-, 4-, 5-, and 6-aminonicotinic acid tert-butyl esters

Wright, Stephen W.

experimental part, p. 442 - 445 (2012/06/15)

Procedures are reported to prepare the tert-butyl esters of 2-aminonicotinic acid, 4-aminonicotinic acid, 5-aminonicotinic acid, and 6-aminonicotinic acid from 2-chloronicotinic acid, 4-chloronicotinic acid, 5-bromonicotinic acid, and 6-chloronicotinic acid, respectively, without need for purification of intermediates. Copyright

DERIVATIVES OF 2-PYRIDIN-2-YL-PYRAZOL-3(2H)-ONE, PREPARATION AND THERAPEUTIC USE THEREOF

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Page/Page column 12, (2011/12/14)

The invention relates to compounds corresponding to formula (I), in the form of the base or of an acid-addition salt: in which n is equal to 0, 1, 2, 3 or 4; m is equal to 0, 1 or 2; o is equal to 0 or 1; X represents a group —CH2, —CH(R′)—, —N

A new and efficient synthesis of 6-[(5 S,9 R)-9-(4-Cyanophenyl)-3-(3,5- dichlorophenyl)-1-methyl-2,4-dioxo-1,3,7-triazaspiro[4.4]non-7-yl]nicotinic acid, a potent LFA-1/ICAM inhibitor

Zhang, Huiping,Watterson, Scott H.,Xiao, Zili,Dhar, T. G. Murali,Balasubramanian, Balu,Barrish, Joel C.,Chen, Bang-Chi

scheme or table, p. 936 - 938 (2011/03/20)

An efficient synthesis of 6-[(5S,9R)-9-(4-cyanophenyl)-3-(3,5- dichlorophenyl)-1-methyl-2,4-dioxo-1,3,7-triazaspiro[4.4]non-7-yl]nicotinic acid 1 is described. This new process involves an in situ protection of 6-chloronicotinic acid as trimethylsilyl est

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