4-(chloromethyl)-1-phenyl-1H-pyrazole

Base Information

• Chemical Name: 4-(chloromethyl)-1-phenyl-1H-pyrazole
• CAS No.: 35715-71-0
• Molecular Formula: C10H9 Cl N2
• Molecular Weight: 192.648
• Hs Code.: 2933199090
• European Community (EC) Number: 827-988-3
• DSSTox Substance ID: DTXSID30366641
• Wikidata: Q82151961
• Mol file: 35715-71-0.mol

Synonyms:4-(chloromethyl)-1-phenyl-1H-pyrazole;35715-71-0;4-(chloromethyl)-1-phenylpyrazole;SCHEMBL2408942;DTXSID30366641;PRKFRFBAKGZDEX-UHFFFAOYSA-N;MFCD02165381;AKOS000262239;BS-13775;EN300-23744;D87807;J-513681;Z56990711

Chemical Property of 4-(chloromethyl)-1-phenyl-1H-pyrazole

Chemical Property:

• Vapor Pressure: 0.00105mmHg at 25°C
• Refractive Index: 1.599
• Boiling Point: 311.2°Cat760mmHg
• Flash Point: 142°C
• PSA: 17.82000
• Density: 1.19g/cm³
• LogP: 2.61110
• XLogP3: 2.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 192.0454260
• Heavy Atom Count: 13
• Complexity: 157

Purity/Quality:

97% ^*data from raw suppliers

4-(chloromethyl)-1-phenyl-1H-pyrazole ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C=C1)N2C=C(C=N2)CCl

Technology Process of 4-(chloromethyl)-1-phenyl-1H-pyrazole

There total 6 articles about 4-(chloromethyl)-1-phenyl-1H-pyrazole which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 81.0%

(1-phenyl-1H-pyrazol-4-yl)methanol (70817-26-4) → 1-phenyl-4-pyrazolylmethyl chloride (35715-71-0)

Guidance literature:

With thionyl chloride; In dichloromethane; Cooling with ice;

Reference yield:

1-bromo-butane (109-65-9) + 7-hydroxy-2H-chromen-2-one (93-35-6) + sulfuric acid (7664-93-9) + 1-phenylpyrazole (1126-00-7) + 2,4-Dimethoxybenzaldehyde (613-45-6) → 1-phenyl-4-pyrazolylmethyl chloride (35715-71-0)

Guidance literature:

With potassium carbonate; paraformaldehyde; Zinc chloride; In ligroin; ethanol; benzene;

Reference yield:

1-phenylpyrazole (1126-00-7) → 1-phenyl-4-pyrazolylmethyl chloride (35715-71-0)

Guidance literature:

Multi-step reaction with 3 steps

1: phosphorus trichloride / 100 °C

2: sodium tetrahydroborate / ethanol / Cooling with ice

3: thionyl chloride / dichloromethane / Cooling with ice

With sodium tetrahydroborate; thionyl chloride; phosphorus trichloride; In ethanol; dichloromethane;

upstream raw materials:

formaldehyd

1-phenylpyrazole

1-bromo-butane

7-hydroxy-2H-chromen-2-one

Downstream raw materials:

(R)-3-(1-phenylcycloheptanecarbonyloxy)-1-(1-phenyl-1H-pyrazol-4-ylmethyl)-1-azoniabicyclo[2.2.2]octane chloride

(R)-1-(1-phenyl-1H-pyrazol-4-ylmethyl)-3-(1-thiophen-2-ylcycloheptanecarbonyloxy)-1-azoniabicyclo[2.2.2]octane chloride

(R)-3-((S)-2-phenyl-2-piperidin-1-yl-propionyloxy)-1-(1-phenyl-1H-pyrazol-4-ylmethyl)-1-azonia-bicyclo[2.2.2]octane chloride

(E)-3-(1-phenylpyrazol-4-yl)prop-2-enoic acid

Refernces

• 1、 -. "1-AZA-BICYCLO [2.2.2] OCTANE DERIVATIVES USEFUL AS MUSCARINIC RECEPTOR ANTAGONISTS". Page/Page column 43. . Retrieved 2010/01/12.
• 2、 -. "Coumarin derivatives". . . Retrieved 2008/06/13.