147779-25-7

Basic information

• Product Name: 2-BENZOYLNICOTINIC ACID
• Synonyms: 2-BENZOYLNICOTINIC ACID;2-BENZOYLPYRIDINE-3-CARBOXYLIC ACID
• CAS NO: 147779-25-7
• Molecular Formula: C₁₃H₉NO₃
• Molecular Weight: 227.22
• Mol File: 147779-25-7.mol

Chemical Properties

• Melting Point: 186-187 °C(Solv: ligroine (8032-32-4); ethyl ether (60-29-7))
• Boiling Point: 465.4 °C at 760 mmHg
• Flash Point: 235.3 °C
• Appearance: /
• Density: 1.311 g/cm³
• Vapor Pressure: 1.84E-09mmHg at 25°C
• Refractive Index: 1.622
• PKA: 2.81±0.10(Predicted)
• CAS DataBase Reference: 2-BENZOYLNICOTINIC ACID(CAS DataBase Reference)
• NIST Chemistry Reference: 2-BENZOYLNICOTINIC ACID(147779-25-7)
• EPA Substance Registry System: 2-BENZOYLNICOTINIC ACID(147779-25-7)

Safety Data

• Hazardous Substances Data: 147779-25-7(Hazardous Substances Data)

Usage

Uses

Used in Pharmaceutical Industry:
2-BENZOYLNICOTINIC ACID is used as a pharmaceutical intermediate for the production of various drugs, leveraging its potential biological activities to contribute to the development of medications with anti-inflammatory, antioxidant, and anti-cancer properties.
Used in Cosmetics and Personal Care Products Industry:
2-BENZOYLNICOTINIC ACID is used as an ingredient in the manufacturing of cosmetics and personal care products, where its biological activities may provide benefits such as anti-inflammatory and antioxidant effects to the formulations.
Used in Agricultural Chemicals Industry:
2-BENZOYLNICOTINIC ACID is used in the formulation of agricultural chemicals, potentially contributing to the development of products that enhance crop health and protection through its biological properties.

InChI:InChI=1/C13H9NO3/c15-12(9-5-2-1-3-6-9)11-10(13(16)17)7-4-8-14-11/h1-8H,(H,16,17)

Upstream product

• 88234-87-1 3-(methoxycarbonyl)pyridine-2-carboxylic acid chloride 
• 71-43-2 benzene 
• 108-86-1 bromobenzene 
• 699-98-9 Pyridine-2,3-dicarboxylic anhydride 
• 100-59-4 phenylmagnesium chloride 

Downstream Products

• 211630-02-3 8-phenyl-pyrido[2,3-d][1,2]oxazin-5-one 
• 150348-51-9 8-phenylpyrido[2,3-d]pyridazin-5(6H)-one 
• 942274-98-8 (3R,9bS)-2,3-dihydro-3,9b-diphenyl-oxazolo[3',2':1,2]pyrrolo[3,4-b]pyridin-5-(9bH)-one 
• 211630-12-5 5-chloro-8-phenylpyrido[2,3-d]pyridazine 
• 211630-17-0 (8-phenyl-pyrido[2,3-d]pyridazin-5-yl)-hydrazine 
• 942275-02-7 (3R,9bS)-2,3-dihydro-3,9b-biphenyl-oxazolo[3',2':1,2]pyrrolo[3,4-b](6-cyano)pyridin-5(9bH)-one 
• 942275-00-5 (3R,9bS)-2,3-dihydro-3,9b-diphenyl-oxazolo[3',2':1,2]pyrrolo[3,4-b](6-chloro)pyridin-5(9bH)-one 
• 942274-99-9 (3R,9bS)-2,3-dihydro-3,9b-diphenyl-oxazolo[3',2':1,2]-N-oxide-pyrrolo[3,4-b]pyridin-5(9bH)-one 

Relevant articles and documents

Preparation of new axially chiral bridged 2,2′-bipyridines and pyridyl monooxazolines (pymox). Evaluation in copper(i)-catalyzed enantioselective cyclopropanation

This work reports the synthesis of new axially chiral bridged 2,2′-bipyridines 1 and pyridylmonooxazolines (pymox) 2. The potential of these new axially chiral N,N-ligands was evaluated in asymmetric catalytic cyclopropanation of styrene derivatives 22a-c with diazoesters 21a,b. While 2,2′-bipyridines 1a-c afforded the corresponding cyclopropanes 23a-f in up to 65% ee, pymoxs 2a-e gave somewhat lower enantioselectivities (up to 53% ee). Both classes of ligands produced trans-cyclopropanes 23a-f as the major isomer, although with modest diasteroselectivities (56: 44 to 78: 22). A structure-stereoselectivity relationship study of ligands 1 and 2 identified the chiral biaryl axis as being mostly responsible for the enantioselective performances of these ligands. The Royal Society of Chemistry.

Benzopyridazinone and pyridopyridazinone compounds

Benzo or pyridopyridazinones and pyridazinthiones of the formula STR1 wherein: X and Y are nitrogen or carbon, provided that at least one is carbon, and Z is oxygen or sulfur; R1 is hydrogen, lower alkyl, aryl, aralkyl, heterocyclo, heterocyclo lower-alkyl, heteroaryl, or heteroaralkyl; R2, R3, R4, R5 and R6 are independently selected from hydrogen, lower alkyl, halo, carboxy, alkoxycarbonyl, carbamoyl, lower-alkyl carbonyl, halocarbonyl, thiomethyl, trifluoromethyl, cyano or nitro; or a pharmaceutically acceptable ester, ether or salt thereof, have been found to be useful as an anti-inflammatory, antasthmatic, immunosuppressive, anti-allograft rejection, anti-graft-vs-host rejection, autoimmune disease or analgetic agent(s).

Tricyclic thiazole and oxazole derivatives and pharmaceutical agents containing them

The present invention concerns thiazolo- 2,3-a!pyrrole and oxazolo- 1,2-a!pyrrole derivatives of formula I STR1 in which HET represents a heterocyclic ring with 3-7 ring atoms which can be substituted by one, two or three residues R1 which can be the same or different, Y represents an oxygen or sulphur atom, or a SO or SO2 group, X can be an oxygen or sulphur atom, R denotes an aliphatic residue with 1-9 C-atoms which can be substituted by phenyl or denotes a phenyl ring or a carbocyclic ring with 7-15 C atoms or a heterocyclic ring system each having 5 or 6 ring atoms, in which the aforementioned phenyl rings, carbocyclic rings or heterocyclic ring system can be substituted once or several times, if desired, and R1-R5 denote hydrogen or an aliphatic residue, as well as their tautomers, enantiomers, diastereomers and physiologically tolerated salts.

Heterocyclic compounds, their production and use as tachykinin reactor antagonists

A novel compound represented by the formula: STR1 wherein Ring A and Ring B respectively stands for an optionally substituted homo- or hetero-cyclic ring, and at least one of them stands for an optionally substituted heterocyclic ring stand; Ring C stands for an optionally substituted benzene ring; R stands for a hydrogen atom or an optionally substituted hydrocarbon residue; one of X and Y stands for --NR1 -- (R1 stands for a hydrogen atom or an optionally substituted hydrocarbon residue) or --O--, and the other stands for--CO-- or --CS--, or one of them stands for --N= and the other stands for =CR2 -- (R2 stands for a hydrogen atom, a halogen atom, an optionally substituted hydrocarbon residue, an optionally substituted amino group or an optionally substituted hydroxyl group); n denotes 1 or 2 or salts thereof which have an excellent tachykinin receptor antagonistic action and inhibitory action on plasma extravasation.

Herbicidal pyridopyridazinones and pyridopyridazinethiones

Pyrido[2,3-d]pyridazin-5-one and pyrido[2,3-d]pyridazin-5-thione derivatives of general formula (I): STR1 wherein R and R1 independently represent hydrogen, optionally halogenated alkyl, alkenyl or alkynyl, optionally substituted heterocycle or a group --[CR41 R42 ]n -(phenyl)-(R3)q ; R2 represents halogen, optionally halogenated alkyl, alkenyl or alkynyl, CN; --CO2 R4 ; --S(O)r R4 ; --NO2 ; --NR41 R42 ; --OH; --COR4, --S(O)r R5, --CO2 R5, --OR5 ; --CONR41 R42, --OSO2 R5, --OSO2 R6, --OCH2 R5, --N(R41)COR6, --N(R41)SO2 R5, --N(R41)SO2 R6, --SO2 NR41 R42, optionally substituted phenyl, alkoxy or haloalkoxy; X represents oxygen or sulphur; R3 represents halogen, optionally halogenated alkyl, alkenyl, alkoxy, alkynyl, --OH, --S(O)r R4, --CO2 R4, COR4, --CN, --NO2, --NR41 R42, --OR5 ; --CONR41 R42, --OSO2 R5, --OSO2 R6, --OCH2 R5, --N(R41)COR6, --N(R41)SO2 R5, --N(R41)SO2 R6 or --SO2 NR41 R42 ; R4 represents a hydrogen atom or optionally halogenated C1-6 alkyl; R41 and R42, which may be the same or different, each represents a hydrogen atom or optionally halogenated C1-4 alkyl; R5 represents a phenyl group optionally substituted by from one to five groups selected from halogen, nitro, cyano, R4 and --OR4 ; m represents zero or an integer from one to three; n represents zero, one or two; where n is two, the groups --(CR41 R42)-- may be the same or different; q represents zero or an integer from one to five; r represents zero, one or two; with the proviso that when m represents zero R and R1 do not simultaneously represent hydrogen; and agriculturally acceptable salts thereof are useful as herbicides.

Selective Non-Nucleoside HIV-1 Reverse Transcriptase Inhibitors. New 2,3-Dihydrothiazoloisoindol-5(9bH)-ones and Related Compounds with Anti-HIV-1 Activity

A series of substituted 2,3-dihydrothiazoloisoindol-5(9bH)-ones and related compounds 1-73 were synthesized and evaluated for their ability to inhibit reverse transcriptase (RT) of the human immune deficiency virus 1 (HIV-1) and replication of HIV-