15802-80-9

Basic information

• Product Name: 3-(TERT-BUTYL)-1H-PYRAZOLE
• Synonyms: 3-(TERT-BUTYL)-1H-PYRAZOLE;3(5)-T-Butylpyrazole;3-tert-butyl-1H-pyrazole(SALTDATA: FREE);3-(tert-Butyl)pyrazole;5(3)-tert-butyl-1H-pyrazole;5-tert-butyl-1H-pyrazole;3-(tert-Butyl)
• CAS NO: 15802-80-9
• Molecular Formula: C₇H₁₂N₂
• Molecular Weight: 124.18
• Mol File: 15802-80-9.mol
• Article Data: 6

Chemical Properties

• Melting Point: 53-54 °C
• Boiling Point: 219.1°C at 760 mmHg
• Flash Point: 87.9°C
• Appearance: /
• Density: 0.972g/cm³
• Vapor Pressure: 0.179mmHg at 25°C
• Refractive Index: 1.493
• Storage Temp.: Sealed in dry,Room Temperature
• PKA: 14.80±0.10(Predicted)
• CAS DataBase Reference: 3-(TERT-BUTYL)-1H-PYRAZOLE(CAS DataBase Reference)
• NIST Chemistry Reference: 3-(TERT-BUTYL)-1H-PYRAZOLE(15802-80-9)
• EPA Substance Registry System: 3-(TERT-BUTYL)-1H-PYRAZOLE(15802-80-9)

Safety Data

• Hazard Codes: Xn
• Statements: 22-36/37/38
• Safety Statements: 26
• HazardClass: IRRITANT
• Hazardous Substances Data: 15802-80-9(Hazardous Substances Data)

Usage

General Description

3-(tert-butyl)-1H-pyrazole is a chemical compound that belongs to the class of pyrazole derivatives. It is characterized by a pyrazole ring containing a tert-butyl group, which is a branched alkyl group. 3-(TERT-BUTYL)-1H-PYRAZOLE is widely used in the synthesis of various organic compounds and pharmaceuticals due to its versatile reactivity and structural properties. Its unique molecular structure and properties make it an important building block for the development of new chemical entities and drug candidates. Additionally, 3-(tert-butyl)-1H-pyrazole has potential applications in the field of materials science, agrochemicals, and biochemistry. Overall, this chemical compound plays a significant role in the advancement of various scientific and industrial applications.

InChI:InChI=1/C7H12N2/c1-7(2,3)6-4-5-8-9-6/h4-5H,1-3H3,(H,8,9)

Upstream product

• 60-29-7 diethyl ether 
• 71388-72-2 E-2-chlorovinyl t-butyl ketone 
• 7803-57-8 hydrazine hydrate 
• 75-97-8 3,3-dimethyl-butan-2-one 
• 109-94-4 formic acid ethyl ester 
• 1186-70-5 bis(dimethylamino)methoxymethane 
• 917-92-0 3,3-Dimethylbut-1-yne 
• 18107-18-1 diazomethyl-trimethyl-silane 
• 82619-55-4 N-(p-nitrophenyl)-4,6-dimethylpyrimidinium bromide 
• 82619-56-5 1-Benzyl-4-t-butylpyrimidinium bromide 
• 6187-98-0 3-t-butyl Δ²-pyrazoline 
• 23459-13-4 pivaloylacetaldehyde 

Downstream Products

• 847548-90-7 fac-[(CO)3(3⁽⁵⁾-tert-butylpyrazole)3Re]B(3,5-(CF₃)2C₆H₃)4 
• 1240795-93-0 2-bis(3-tert-butylpyrazol-1-yl)methylphenol 
• 220602-80-2 [4-(3-tert-butyl-1H-pyrazol-1-yl)-2-(trifluoromethyl)-phenyl]-(6,11-dihydro-5H-pyrido[2,3-b][1,5]benzodiazepin-6-yl)-methanone 
• 628331-86-2 methyl (E)-3-(1-benzyl-3-tert-butyl-1H-pyrazol-4-yl)-2-propenoate 

Relevant articles and documents

Conformation and Ortho steric effects in a series of 2-(pyrazol-l-yl)quinolines

Nine 2-(pyrazol-l-yl)-4-methylquinolines bearing substituents on the pyrazole 3- or 5-positions (H, Me, Et, i-Pr, t-Bu) were regioselectively synthesized either using the direct condensation of 2-chloro-4-methylquinoline and sodium salt of 3(5)-substituted pyrazoles or by treatment of 2-hydrazino-4-methylquinoline with an appropriate β-ketoaldehyde. The 1H and 13C chemical shifts were discussed taking into account the preferred conformation about the C-2-N-1′ bond as calculated by the AM1 Hamiltonian. It appears that 5-ethyl and 5-isopropyl substituted derivatives present short C-H...N-1 interactions. Ortho steric effects appear to be responsible for these conformations.

Microwave-assisted synthesis of pyrazoles by 1,3-dipolar cycloaddition of diazo compounds to acetylene derivatives

Microwave-assisted preparation of a wide range of 5-ethoxycarbonylpyrazoles and 3-pyrazoles by 1,3-dipolar cycloaddition of diazo compound to acetylenes is described. All reactions were carried out using high throughput sequential technique.{A figure is p

1,2-AZOLE DERIVATIVES WITH HYPOGLYCEMIC AND HYPOLIPIDEMIC ACTIVITY

A compound represented by the formula (1) wherein ring A is a ring optionally having 1 to 3 substituents; ring B is a 1,2-azole ring which may further have 1 to 3 substituents; Xa, Xb and Xc are the same or different and each is a bond, - O -, - S - and the like; Ya is a divalent aliphatic hydrocarbon residue having 1 to 20 carbon atoms; Yb and Yc are the same or different and each is a bond or a divalent aliphatic hydrocarbon residue having 1 to 20 carbon atoms; ring C is a monocyclic aromatic ring which may further have 1 to 3 substituents; and R represents -OR4 (R4 is hydrogen atom or optionally substituted hydrocarbon group) and the like, or a salt thereof or a prodrug thereof is useful as an agent for the prophylaxis or treatment of diabetes and the like.