439117-38-1

Basic information

• Product Name: METHYL 5-CHLORO-2-CYANOBENZOATE
• Synonyms: METHYL 5-CHLORO-2-CYANOBENZOATE;BENZOIC ACID, 5-CHLORO-2-CYANO-, METHYL ESTER;4-Chloro-2-methoxycarbonylbenzonitrile
• CAS NO: 439117-38-1
• Molecular Formula: C₉H₆ClNO₂
• Molecular Weight: 195.6
• Mol File: 439117-38-1.mol

Chemical Properties

• Boiling Point: 328.1°C at 760 mmHg
• Flash Point: 152.2°C
• Appearance: /
• Density: 1.32g/cm³
• Vapor Pressure: 0.000194mmHg at 25°C
• Refractive Index: 1.554
• Storage Temp.: Sealed in dry,Room Temperature
• CAS DataBase Reference: METHYL 5-CHLORO-2-CYANOBENZOATE(CAS DataBase Reference)
• NIST Chemistry Reference: METHYL 5-CHLORO-2-CYANOBENZOATE(439117-38-1)
• EPA Substance Registry System: METHYL 5-CHLORO-2-CYANOBENZOATE(439117-38-1)

Safety Data

• Hazardous Substances Data: 439117-38-1(Hazardous Substances Data)

Usage

Uses

Used in Pharmaceutical Industry:
METHYL 5-CHLORO-2-CYANOBENZOATE is used as an intermediate in the synthesis of various pharmaceuticals for its ability to contribute to the development of new medications and therapeutic agents.
Used in Agrochemical Industry:
Similarly, in the agrochemical sector, METHYL 5-CHLORO-2-CYANOBENZOATE is utilized as an intermediate in the production of agrochemicals, aiding in the creation of compounds that can enhance crop protection and management.
Used in Chemical Research:
METHYL 5-CHLORO-2-CYANOBENZOATE is employed as a building block in chemical research, facilitating the exploration and understanding of new organic compounds and their potential applications.
Used in Manufacturing Processes:
In manufacturing, METHYL 5-CHLORO-2-CYANOBENZOATE is used to produce a range of organic compounds, highlighting its versatility and importance in the synthesis of various chemical products.

InChI:InChI=1/C9H6ClNO2/c1-13-9(12)8-4-7(10)3-2-6(8)5-11/h2-4H,1H3

Upstream product

• 56961-26-3 2-bromo-3-chlorobenzoic acid 
• 14221-01-3 tetrakis(triphenylphosphine) palladium⁽⁰⁾ 
• 27007-53-0 methyl-2-bromo-5-chlorobenzoate 
• 544-92-3 copper(I) cyanide 
• 4068-78-4 methyl 5-chloro-2-hydroxybenzoate 
• 21739-93-5 2-bromo-5-chlorobenzoic acid 
• 557-21-1 dicyanozinc 
• 494210-98-9 methyl 5-chloro-2-[((trifluoromethyl)sulfonyl)oxy]benzoate 
• 557-21-1 zinc(II) cyanide 

Downstream Products

• 58083-59-3 6-chloroisoindolin-1-one 
• 928754-18-1 (4-chloro-2-chloromethyl-benzyl)-carbamic acid tert-butyl ester 
• 439117-43-8 N-fluorenylmethoxycarbonyl-L-prolyl-2-(tert-butyloxycarbonylaminomethyl)-5-chlorobenzylamide 
• 439117-99-4 1-(N (fluorenylmethoxycarbonyl)-azetidin-2S-yl-carbonylaminomethyl)-2-(tert-butyloxycarbonylaminomethyl)-5-chlorobenzene 
• 439117-46-1 [4-Chloro-2-({[(S)-1-((R)-2-cyclohexyl-2-hydroxy-acetyl)-pyrrolidine-2-carbonyl]-amino}-methyl)-benzyl]-carbamic acid tert-butyl ester 
• 486394-58-5 [4-Chloro-2-({[(S)-1-((R)-3-cyclopropyl-2-hydroxy-3-methyl-butyryl)-azetidine-2-carbonyl]-amino}-methyl)-benzyl]-carbamic acid tert-butyl ester 
• 439117-51-8 [4-Chloro-2-({[(S)-1-((R)-2-hydroxy-2-phenyl-propionyl)-pyrrolidine-2-carbonyl]-amino}-methyl)-benzyl]-carbamic acid tert-butyl ester 
• 439117-45-0 [4-Chloro-2-({[(S)-1-((R)-2-hydroxy-3,3-dimethyl-butyryl)-pyrrolidine-2-carbonyl]-amino}-methyl)-benzyl]-carbamic acid tert-butyl ester 
• 439117-50-7 [4-Chloro-2-({[(S)-1-((R)-2-hydroxy-3-methyl-butyryl)-pyrrolidine-2-carbonyl]-amino}-methyl)-benzyl]-carbamic acid tert-butyl ester 
• 486394-64-3 [4-Chloro-2-({[(S)-1-((R)-2-hydroxy-3,3-dimethyl-butyryl)-azetidine-2-carbonyl]-amino}-methyl)-benzyl]-carbamic acid tert-butyl ester 
• 439116-15-1 2-(tert-butyloxycarbonylaminomethyl)-5-chlorobenzylamine 
• 439117-41-6 1-azidomethyl-2-(tert-butyloxycarbonylaminomethyl)-5-chlorobenzene 
• 439117-40-5 tert-butyl 4-chloro-2-(hydroxymethyl)benzylcarbamate 

Relevant articles and documents

HALO-SUBSTITUTED PIPERIDINES AS OREXIN RECEPTOR MODULATORS

The present application relates to certain halo-substituted piperidine compounds, pharmaceutical compositions containing them, and methods of using them, including methods for treating substance addiction, panic disorder, anxiety, post-traumatic stress disorder, pain, depression, seasonal affective disorder, an eating disorder, or hypertension.

PYRROLIDINE THROMBIN INHIBITORS

Compounds of the invention, which may be useful in inhibiting thrombin and associated thrombotic occlusions, have the following structure: (I) or a pharmaceutically acceptable salt thereof, wherein R is a heterocycle or -(CR4R5)1-2NH2 , wherein R4 and R5,

THERAPEUTIC USE OF ARYL AMINO ACID DERIVATIVES

The compounds of formula (I) are useful in the treatment of faintness attacks, hypokinesia, cranial disorders, neurodegenerative disorders, depression, anxiety, panic, neuropathic pain, neuropathological disorders and sleep disorders. Processes for the preparation of the final products and intermediates useful in the process are included. Pharmaceutical compositions containing one or more of the compounds are also included.

Low molecular weight thrombin inhibitors with excellent potency, metabolic stability, and oral bioavailability

Modification of lead compound 1 by reducing lipophilicity in the P3 group produced a series of low molecular weight thrombin inhibitors with excellent potency in functional assays, metabolic stability, and oral bioavailability. These modifications led to

Stereoselective synthesis of a potent thrombin inhibitor by a novel P2-P3 lactone ring opening

The concise synthesis of a potent thrombin inhibitor was accomplished by a mild lactone aminolysis between an orthogonally protected bis-benzylic amine and a diastereomerically pure lactone. The lactone was synthesized by the condensation of L-proline met

Unexpected enhancement of thrombin inhibitor potency with o-aminoalkylbenzylamides in the P1 position

Thrombin inhibitors incorporating o-aminoalkylbenzylamides in the P1 position were designed, synthesized and found to have enhanced potency and selectivity in several different structural classes. X-ray crystallographic analysis of compound 24 bound in the α-thrombin-hirugen complex provides an explanation for these unanticipated results.

Thrombin inhibitors

Compounds of the invention are useful in inhibiting thrombin and associated thrombotic occlusions having the following structure: or a pharmaceutically acceptable salt thereof, e.g. 1-(3(S)-Cyclopropyl-2(R)-hydroxybutanoyl)azetidine-2(S)-N-(2-aminomethyl-5-chlorobenzyl)carboxamide, and 1-(3-Cyclopropyl-3-methyl-2(R)-hydroxybutanoyl)azetidine-2(S)-N-(2-aminomethyl-5-chlorobenzyl)carboxamide.

Thrombin inhibitors

Compounds of the invention are useful in inhibiting thrombin and associated thrombotic occlusions having the following structure: or a pharmaceutically acceptable salt thereof, e.g. 1-(3(S)-Cyclopropyl-2(R)-hydroxybutanoyl)azetidine-2(S)-N-(2-aminomethyl-5-chlorobenzyl)carboxamide, and 1-(3-Cyclopropyl-3-methyl-2(R)-hydroxybutanoyl)azetidine-2(S)-N-(2-aminomethyl-5-chlorobenzyl)carboxamide.

Thrombin inhibitors

Compounds of the invention are useful in inhibiting thrombin and associated thrombotic occlusions having the following structure: wherein R1 is, for example, hydrogen, Cl, or cyano, and R2 is, for example, hydrogen,

Thrombin inhibitors

Compounds of the invention are useful in inhibiting thrombin and associated thrombotic occlusions having the following structure: or a pharmaceutically acceptable salt thereof, e.g. where R3 is —CH2NH2, —CH2CH2NH2, or —CH2NHC(O)OC(CH3)3.