199536-01-1

Basic information

• Product Name: 3-AMINO-5-CYANO-BENZOIC ACID METHYL ESTER
• Synonyms: 3-AMINO-5-CYANO-BENZOIC ACID METHYL ESTER;3-AMINO-5-CYANO-BENZOIC ACID METHYL ESTER >98%
• CAS NO: 199536-01-1
• Molecular Formula: C₉H₈N₂O₂
• Molecular Weight: 176.17
• Mol File: 199536-01-1.mol
• Article Data: 6

Chemical Properties

• Melting Point: 128°C
• Boiling Point: 371.488°C at 760 mmHg
• Flash Point: 178.47°C
• Appearance: /
• Density: 1.262g/cm³
• Vapor Pressure: 0mmHg at 25°C
• Refractive Index: 1.574
• Storage Temp.: under inert gas (nitrogen or Argon) at 2–8 °C
• PKA: 1?+-.0.10(Predicted)
• CAS DataBase Reference: 3-AMINO-5-CYANO-BENZOIC ACID METHYL ESTER(CAS DataBase Reference)
• NIST Chemistry Reference: 3-AMINO-5-CYANO-BENZOIC ACID METHYL ESTER(199536-01-1)
• EPA Substance Registry System: 3-AMINO-5-CYANO-BENZOIC ACID METHYL ESTER(199536-01-1)

Safety Data

• Hazardous Substances Data: 199536-01-1(Hazardous Substances Data)

Usage

General Description

3-AMINO-5-CYANO-BENZOIC ACID METHYL ESTER, also known as Methyl 3-amino-5-cyanobenzoate, is a chemical compound with the molecular formula C10H8N2O2. It is a methyl ester derivative of 3-amino-5-cyanobenzoic acid and is commonly used as a building block in organic synthesis. 3-AMINO-5-CYANO-BENZOIC ACID METHYL ESTER is a yellow powder that is soluble in organic solvents but slightly soluble in water. 3-AMINO-5-CYANO-BENZOIC ACID METHYL ESTER has potential applications in pharmaceuticals, agrochemicals, and dye stuffs due to its chemical reactivity and versatility in various synthetic processes. It should be handled and used according to proper safety guidelines and regulations to ensure safe use and handling.

InChI:InChI=1/C9H8N2O2/c1-13-9(12)7-2-6(5-10)3-8(11)4-7/h2-4H,11H2,1H3

Upstream product

• 50826-00-1 5-nitroisophthalamic acid methyl ester 
• 1955-46-0 5-nitro-1,3-benzenedicarboxylic acid, monomethyl ester 
• 99066-80-5 methyl 3-cyano-5-nitrobenzoate 
• 145013-05-4 tert-butyl N-({[(tert-butoxy)carbonyl]amino}methanethioyl)carbamate 
• 183430-98-0 methyl 3-amino-5-[(N-hydroxylimino)methyl]benzoate 
• 183430-96-8 methyl 3-[(N-hydroxylimino)methyl]-5-nitrobenzoate 

Downstream Products

• 1149381-90-7 N-(3-(imidazo[1,2-b]pyridazin-2-yl)-5-(5-(morpholinomethyl)-1,2,4-oxadiazol-3-yl)phenyl)methanesulfonamide 
• 1149381-94-1 N-(3-acetyl-5-cyanophenyl)methanesulfonamide 
• 1149381-96-3 N-(3-(2-bromoacetyl)-5-cyanophenyl)methanesulfonamide 
• 1149382-00-2 N-(3-cyano-5-(imidazo[1,2-b]pyridazin-2-yl)phenyl)methanesulfonamide 
• 1149382-02-4 N-(3-(5-(chloromethyl)-1,2,4-oxadiazol-3-yl)-5-(imidazo[1,2-b]pyridazin-2-yl)phenyl)methanesulfonamide 
• 1149381-98-5 N-(3-(6-chloroimidazo[1,2-b]pyridazin-2-yl)-5-cyanophenyl)methanesulfonamide 
• 845777-81-3 (Z)-methyl 3-(2,3-bis(tert-butoxycarbonyl)guanidino)-5-cyanobenzoate 
• 1000341-18-3 C₈H₆N₂O₂ 
• 1055974-93-0 methyl 3-cyano-5-(methylsulfonamido)benzoate 
• 845777-84-6 3-guanidino-5-[(6-{6-[6-(3-tritylsulfanyl-propionylamino)-hexanoylamino]-hexanoylamino}-hexanoylamino)-methyl]-benzoic acid 
• 845777-82-4 C₂₀H₃₀N₄O₆ 
• 845777-83-5 3-aminomethyl-5-guanidinobenzoic acid 

Relevant articles and documents

Evaluation of the Synthetic Potential of an AHBA Knockout Mutant of the Rifamycin Producer Amycolatopsis mediterranei

Supplementing an AHBA(-) mutant strain of Amycolatopsis mediterranei, the rifamycin producer, with a series of benzoic acid derivatives yielded new tetraketides containing different phenyl groups. These mutasynthetic studies revealed unique reductive properties of A. mediterranei towards nitro- and azidoarenes, leading to the corresponding anilines. In selected cases, the yields of mutaproducts (fermentation products isolated after feeding bacteria with chemically prepared analogs of natural building blocks) obtained are in a range (up to 118 mg L-1) that renders them useful as chiral building blocks for further synthetic endeavors. The configuration of the stereogenic centers at C6 and C7 was determined to be 6R,7S for one representative tetraketide. Importantly, processing beyond the tetraketide stage is not always blocked when the formation of the bicyclic naphthalene precursor cannot occur. This was proven by formation of a bromo undecaketide, an observation that has implications regarding the evolutionary development of rifamycin biosynthesis.

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Heteropolycyclic compounds and their use as metabotropic glutamate receptor antagonists

The present invention provides compounds and pharmaceutical compositions that act as antagonists at metabotropic glutamate receptors, and that are useful for treating neurological diseases and disorders. Methods of preparing the compounds also are disclosed.