Methyl 4-(1-methyl-1H-pyrazol-3-yl)benzoate

Modify Date: 2025-08-21 18:49:20

Methyl 4-(1-methyl-1H-pyrazol-3-yl)benzoate Structure
Methyl 4-(1-methyl-1H-pyrazol-3-yl)benzoate structure
Common Name Methyl 4-(1-methyl-1H-pyrazol-3-yl)benzoate
CAS Number 179057-11-5 Molecular Weight 216.236
Density 1.2±0.1 g/cm3 Boiling Point 357.5±25.0 °C at 760 mmHg
Molecular Formula C12H12N2O2 Melting Point N/A
MSDS N/A Flash Point 170.0±23.2 °C

 Names

Name methyl 4-(1-methylpyrazol-3-yl)benzoate
Synonym More Synonyms

 Chemical & Physical Properties

Density 1.2±0.1 g/cm3
Boiling Point 357.5±25.0 °C at 760 mmHg
Molecular Formula C12H12N2O2
Molecular Weight 216.236
Flash Point 170.0±23.2 °C
Exact Mass 216.089874
PSA 44.12000
LogP 1.94
Vapour Pressure 0.0±0.8 mmHg at 25°C
Index of Refraction 1.576
InChIKey RYUZLYIZDWRPGE-UHFFFAOYSA-N
SMILES COC(=O)c1ccc(-c2ccn(C)n2)cc1

 Synthetic Route

~80%

Methyl 4-(1-methyl-1H-pyrazol-3-yl)benzoate Structure

Methyl 4-(1-met...

CAS#:179057-11-5

Literature: TRIMERIS, INC. Patent: WO2007/103456 A2, 2007 ; Location in patent: Page/Page column 120-121 ;

~56%

Methyl 4-(1-methyl-1H-pyrazol-3-yl)benzoate Structure

Methyl 4-(1-met...

CAS#:179057-11-5

Literature: Tong, Yunsong; Bouska, Jennifer J.; Ellis, Paul A.; Johnson, Eric F.; Leverson, Joel; Liu, Xuesong; Marcotte, Patrick A.; Olson, Amanda M.; Osterling, Donald J.; Przytulinska, Magdalena; Rodriguez, Luis E.; Shi, Yan; Soni, Nirupama; Stavropoulos, Jason; Thomas, Sheela; Donawho, Cherrie K.; Frost, David J.; Luo, Yan; Giranda, Vincent L.; Penning, Thomas D. Journal of Medicinal Chemistry, 2009 , vol. 52, # 21 p. 6803 - 6813

~64%

Methyl 4-(1-methyl-1H-pyrazol-3-yl)benzoate Structure

Methyl 4-(1-met...

CAS#:179057-11-5

Literature: Tanaka, Akira; Terasawa, Takeshi; Hagihara, Hiroyuki; Sakuma, Yuri; Ishibe, Noriko; Sawada, Masae; Takasugi, Hisashi; Tanaka, Hirokazu Journal of Medicinal Chemistry, 1998 , vol. 41, # 13 p. 2390 - 2410

~%

Methyl 4-(1-methyl-1H-pyrazol-3-yl)benzoate Structure

Methyl 4-(1-met...

CAS#:179057-11-5

Literature: Tanaka, Akira; Terasawa, Takeshi; Hagihara, Hiroyuki; Sakuma, Yuri; Ishibe, Noriko; Sawada, Masae; Takasugi, Hisashi; Tanaka, Hirokazu Journal of Medicinal Chemistry, 1998 , vol. 41, # 13 p. 2390 - 2410

 Synonyms

Methyl 4-(1-methyl-1H-pyrazol-3-yl)benzoate
Benzoic acid, 4-(1-methyl-1H-pyrazol-3-yl)-, methyl ester
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