25978-68-1

Basic information

• Product Name: 4-Cyano-3-methylBenzoic acid methyl ester
• Synonyms: 4-Cyano-3-methylBenzoic acid methyl ester;Methyl 4-cyano-3-methylbenzoate
• CAS NO: 25978-68-1
• Molecular Formula: C₁₀H₉NO₂
• Molecular Weight: 175.186
• Mol File: 25978-68-1.mol
• Article Data: 13

Chemical Properties

• Boiling Point: 311.8 °C at 760 mmHg
• Flash Point: 145.2 °C
• Appearance: /
• Density: 1.15
• Vapor Pressure: 0.000551mmHg at 25°C
• Refractive Index: 1.53
• Storage Temp.: Sealed in dry,Room Temperature
• CAS DataBase Reference: 4-Cyano-3-methylBenzoic acid methyl ester(CAS DataBase Reference)
• NIST Chemistry Reference: 4-Cyano-3-methylBenzoic acid methyl ester(25978-68-1)
• EPA Substance Registry System: 4-Cyano-3-methylBenzoic acid methyl ester(25978-68-1)

Safety Data

• Hazardous Substances Data: 25978-68-1(Hazardous Substances Data)

Usage

General Description

4-Cyano-3-methylBenzoic acid methyl ester, also known as methyl 4-cyano-3-methylbenzoate, is a chemical compound with the formula C10H9NO2. It is a white crystalline powder with a molecular weight of 175.18 g/mol. 4-Cyano-3-methylBenzoic acid methyl ester is commonly used in organic synthesis and pharmaceutical research as a starting material or intermediate. It is also used as a building block in the manufacturing of various pharmaceutical drugs and agrochemicals. Additionally, it may have potential applications in the development of new materials and biologically active compounds. However, as with any chemical compound, proper handling and storage procedures should be followed to ensure safety and prevent any potential hazards.

InChI:InChI=1/C10H9NO2/c1-7-5-8(10(12)13-2)3-4-9(7)6-11/h3-5H,1-2H3

Upstream product

• 557-21-1 dicyanozinc 
• 148547-19-7 4-Bromo-3-methylbenzoic acid methyl ester 
• 67-56-1 methanol 
• 1160759-52-3 4-cyano-3-methylbenzoyl chloride 
• 544-92-3 copper(I) cyanide 
• 5471-81-8 methyl 4-iodo-3-methylbenzoate 
• 75-05-8 acetonitrile 
• 18595-14-7 methyl 4-amino-3-methylbenzoate 
• 74-88-4 methyl iodide 
• 557-21-1 zinc(II) cyanide 

Downstream Products

• 503470-27-7 methyl 4-(aminomethyl)-3-methylbenzoate 
• 943917-33-7 methyl 4-carbamothioyl-3-methylbenzoate 
• 1219018-71-9 4-(2-cyanopropanoyl)-2-methylbenzonitrile 
• 1196047-14-9 methyl 4-(aminomethyl)-3-methylbenzoate hydrochloride 
• 908562-25-4 methyl 3-bromomethyl-4-cyanobenzoate 
• 905308-51-2 4-[5-(4-cyclohexyl-phenyl)-[1,2,4]oxadiazol-3-yl]-3-methyl-benzoic acid methyl ester 
• 905308-44-3 Methyl 4-[(Z)-amino(hydroxyimino)methyl]-3-methylbenzoate 

Relevant articles and documents

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NOVEL FIVE-MEMBERED RING COMPOUND

Disclosed is a five-membered ring compound represented by formula (1) or a pharmaceutically acceptable salt thereof. The compound inhibits infiltration of leukocytes including eosinophils and lymphocytes, and is effective as a drug for treating various inflammations. The compound is highly safe and can be administered for a long period. A pharmaceutical product containing the five-membered ring compound or a pharmaceutically acceptable salt thereof is also disclosed. (In the formula, R1 represents a halogen atom or a phenyl group which may be substituted by a C1-C3 alkyl group or a C1-C3 alkoxy group; R2 represents a C1-C3 alkylene group which may be substituted by a C1-C3 alkyl group or a carbonyl group; R3 represents a C1-C3 alkyl group; R4 and R5 independently represent a hydrogen atom or a C1-C3 alkyl group, or -N(R4)R5 may represent a morpholino group which may be substituted by a C1-C3 alkyl group; Y2 represents a C2-C4 alkylene group; and R6 represents a hydrogen atom, a halogen atom, a C1-C3 alkyl group or a C1-C3 alkoxy group.)

1,2,4-oxadiazole derivatives and their therapeutic use

New derivatives of general formula (I), or pharmaceutically acceptable salts or N-oxides thereof wherein, A is selected from the group consisting of -N-, -O- and -S-; B and C are independently selected from the group consisting of-N- and -O-, with the proviso that at least two of A, B and C are nitrogen atoms; G1 is selected from the group consisting of -CH2-, -NH- and -O-; G2 is selected from the group consisting of -NR4- and -O-; R1 represents: ? a 8 to 10 membered bicyclic N-containing heteroaryl group optionally substituted with a C1-4 carboxyalkyl group or a C1-4 aminoalkyl group, ? a pyridyl group optionally substituted with one or more substituents selected from hydroxy groups, C1-4 alkyl groups, C1-4 carboxyalkyl groups, C1-4 haloalkyl groups, C1-4 alkoxy groups, amino groups, C1-4 aminoalkyl groups and C1-4 aminoalkoxy groups, ? a pyridone group substituted with one or more C1-4 alkyl groups; C1-4 haloalkyl groups or C1-4 aminoalkyl groups, or ? a group of formula: wherein: ? Ra represents a hydrogen atom, a halogen atom, a C1-4 alkyl group, C3-4 cycloalkyl group or a -CF3 group; ? Rb represents a hydrogen atom, a halogen atom, a C14 alkyl group, a -CF3 group or a C1-4 alkoxy group; ? Rd represents a hydrogen atom, a C1-4 alkyl group or a C1-4 alkoxy group; ? Rc represents: ○ a hydrogen atom, a C1-4 hydroxyalkyl group, a C1-4 aminoalkyl group which is optionally substituted with one or more substituents selected from halogen atoms, hydroxy groups and -CF3 groups; ○ a 4 to 6-membered saturated N-containing heterocyclic ring optionally substituted with a C1-2 carboxyalkyl group; ○ -(CH2)(0-4)-C(O)OR', -(CH2)(0-4)-C(O)NR'R", -(CH2)(0-4)-NHC(O)R", -S(O)2NR'R", -O-(CH2)(2-4)NR'R", -O-(CH2)(1-4)C(O)OR", -O-(CH2)(1-4)-C(O)NR'R", -(CH2)(0-4)-NR'R", -(CH2)(0-4)-CONHS(O)2R', -(CH2)(0-4)-NHS(O)2R' or -(CH2)(0-3)-N H-(CH2)(1-3)-(NH)(0-1)S(O)2R' wherein, ■ R' represents a hydrogen atom or a C1-4 alkyl group, ■ R" represents a hydrogen atom, a C1-4 alkyl group, a C3-4 cycloalkyl group, a C1-4 carboxyalkyl group, a C1-4 haloalkyl group, a C1-4 hydroxyalkyl group or a 6 membered, saturated N-containing heterocyclic ring, or ■ R' and R" together with the nitrogen atom to which they are attached from a 4 to 6 membered heterocyclic group which contains, as heteroatoms, one N atom and, optionally, one further atom selected from N and O, and which is optionally substituted with a carboxy or a C1-4 carboxyalkyl group, or Rc together with Rd form a C5-6 cycloalkyl group optionally substituted by a -NHRf group, wherein Rf is selected from the group consisting of a hydrogen atom and a carboxymethyl group; R2 and R3 are independently selected from the group consisting of hydrogen atoms, halogen atoms and C1-4 alkyl groups; and R4 is selected from the group consisting of a hydrogen atom, a phenyl group, a C3-4 cycloalkyl-C1-4 alkyl group, C1-4 aminoalkyl group, C1-4 haloalkyl group and a linear or branched C1-4 alkyl group which is optionally substituted by a phenyl or a pyridyl group.