476620-22-1

Basic information

• Product Name: 3-PYRAZOL-1-YL-PHENYLBORONIC ACID
• Synonyms: [3-(1H-PYRAZOL-1-YL)PHENYL]BORONIC ACID;3-PYRAZOL-1-YL-PHENYLBORONIC ACID;CHEMBRDG-BB 4009715;boronic acid, [3-(1H-pyrazol-1-yl)phenyl]-;[3-(1H-pyrazol-1-yl)phenyl]boronic acid(SALTDATA: FREE);Boronic acid, B-[3-(1H-pyrazol-1-yl)phenyl]-;[3-(1-pyrazolyl)phenyl]boronic acid
• CAS NO: 476620-22-1
• Molecular Formula: C₉H₉BN₂O₂
• Molecular Weight: 187.99
• Mol File: 476620-22-1.mol
• Article Data: 1

Chemical Properties

• Boiling Point: 402.663°C at 760 mmHg
• Flash Point: 197.324°C
• Appearance: /
• Density: 1.209g/cm³
• Vapor Pressure: 0mmHg at 25°C
• Refractive Index: 1.59
• Storage Temp.: 2-8°C
• CAS DataBase Reference: 3-PYRAZOL-1-YL-PHENYLBORONIC ACID(CAS DataBase Reference)
• NIST Chemistry Reference: 3-PYRAZOL-1-YL-PHENYLBORONIC ACID(476620-22-1)
• EPA Substance Registry System: 3-PYRAZOL-1-YL-PHENYLBORONIC ACID(476620-22-1)

Safety Data

• Hazard Codes: Xi
• Statements: 41
• Safety Statements: 26-39
• HazardClass: IRRITANT
• Hazardous Substances Data: 476620-22-1(Hazardous Substances Data)

Usage

General Description

3-Pyrazol-1-yl-phenylboronic acid is a specialized chemical compound frequently utilized in organic chemistry settings. Its molecular weight is 209.035, and its molecular formula is C10H10BNO3. The compound is characterized by the presence of a phenyl boronic acid and a pyrazole ring. It is processed under non-aqueous conditions, reacting under Suzuki-Miyaura cross-coupling reactions. It is a critical intermediate in the development of bioactive molecules and in the preparation of varied complex compounds. Its safe handling and storage requires specialized knowledge due to its potential for harmful effects upon contact or inhalation.

InChI:InChI=1/C9H9BN2O2/c13-10(14)8-3-1-4-9(7-8)12-6-2-5-11-12/h1-7,13-14H

Downstream Products

• 905580-16-7 [(3aR,4R,6R,6aR)-2,2-dimethyl-6-(6-[3-(1H-pyrazol-1-yl)phenyl]-9H-purin-9-yl)-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]methyl acetate 
• 919341-10-9 3-[1-(ethylsulfonyl)-4-piperidinyl]-5-[3-(1H-pyrazol-1-yl)phenyl]-1H-indole-7-carboxamide 
• 1107655-20-8 1-(3-piperidin-1-yl-propyl)-4-[3-(3-pyrazol-1-yl-phenyl)-imidazo[1,2-b]pyridazin-7-yl]-1H-pyridin-2-one 
• 1225280-35-2 6-[3-(1H-pyrazol-1-yl)phenyl]quinoxaline 
• 1603135-69-8 C₁₈H₁₈ClN₅O₂S₂ 
• 1146614-35-8 7-chloro-3-(3-pyrazol-1-yl-phenyl)-imidazo[1,2-a]pyridine 
• 1146613-28-6 N-methyl-3-[3-(3-pyrazol-1-yl-phenyl)-imidazo[1,2-a]pyridin-7-yl]-benzamide 

Relevant articles and documents

AMINO-HETEROCYCLES AS VR-1 ANTAGONISTS FOR TREATING PAIN

the present invention provides a compound of formula (I): wherein V represents NR5, O, S, SO or S(O)2; W and X each independently represent CH or N; Y represents N, CH or C-Ar2, with the proviso that at least one, but no more than two, of W, X and Y are N; Z represents CH or C-Ar2, with the proviso that when Y is N or CH then Z is C-Ar2, and with the further proviso that when Y is C-Ar2 then Z is CH; Ar1 represents a fused 9 or 10 membered heterobicyclic ring system containing one, two, three or four heteroatoms selected from nitrogen, oxygen and sulfur, wherein at least one of the rings in said ring system is aromatic; Ar2 represents an aromatic ring selected from phenyl, pyridyl, pyrimidinyl and pyridazinyl which is optionally fused and substituted; R1 represents halogen, hydroxy, oxo, C1-6alkyl, C2-6alkenyl, C2-6alkynyl, haloC1-6alkyl, hydroxyC1-6alkyl, C1-6alkoxy, haloC1-6alkoxy, hydroxyC1-6alkoxy, C3-7cycloalkyl, C3-7cycloalkoxy, C3-5cycloalkylC1-4alkyl, cyano, nitro, SR6, SOR6, SO2R6, COR6, NR3COR6, CONR3R4, NR3SO2R6, SO2NR3R4, -(CH2)mcarboxy, esterified -(CH2)mcarboxy or -(CH2)mNR3R4; R2 represents hydrogen, halogen, hydroxy, C1-6alkyl, haloC1-6alkyl, C3-7cycloalkyl, C1-6alkoxy, haloC1-6alkoxy, unsubstituted phenyl or phenyl substituted with one or two groups selected from halogen, C1-6alkyl, haloC1-6alkyl, C3-7cycloalkyl, C1-6alkoxy or haloC1-6alkoxy; R3 and R4 are each independently hydrogen, C1-6alkyl, C2-6alkenyl, C2-6alkynyl, C3-7cycloalkyl or fluoroC1-6alkyl; or R3 and R4 and the nitrogen atom to which they are attached together form a heteroaliphatic ring of 4 to 7 ring atoms, optionally substituted by one or two groups selected from hydroxy or C1-4alkoxy, which ring may optionally contain as one of the said ring atoms an oxygen or a sulfur atom, S(O), S(O)2, or NR5; R5 represents hydrogen, C1-4alkyl, hydroxyC1-4alkyl or C1-4alkoxyC1-4alkyl; R6 represents hydrogen, C1-6alkyl, fluoroC1-6alkyl, C3-7cycloalkyl, unsubstituted phenyl, or phenyl substituted with one or two groups selected from halogen, C1-6alkyl, haloC1-6alkyl, C3-7cycloalkyl, C1-6alkoxy or haloC1-6alkoxy; m is either zero or an integer from 1 to 4; n is either zero or an integer from 1 to 3; or a pharmaceutically acceptable salt, N-oxide or a prodrug thereof; a pharmaceutical composition comprising it; its use in methods of treatment; use of it for the manufacture of a medicament for treating VR-1 related conditions such as those in which pain and/or inflammation predominate; and methods of treatment using it.