3-(chloromethyl)-1-methyl-5-phenyl-1H-pyrazole

Base Information

Chemical Name:3-(chloromethyl)-1-methyl-5-phenyl-1H-pyrazole
CAS No.:869901-13-3
Molecular Formula:C₁₁H₁₁ClN₂
Molecular Weight:206.675
Hs Code.:
DSSTox Substance ID:DTXSID00594550
Wikidata:Q82489429
Mol file:869901-13-3.mol

Synonyms:3-(chloromethyl)-1-methyl-5-phenyl-1H-pyrazole;869901-13-3;3-(chloromethyl)-1-methyl-5-phenylpyrazole;1H-Pyrazole,3-(chloromethyl)-1-methyl-5-phenyl-;SCHEMBL19585848;DTXSID00594550;MFCD08271938;MS-22381;DB-076805;G62549;3-(chloromethyl)-1-methyl-5-phenyl-1H-pyrazole, AldrichCPR

Suppliers and Price of 3-(chloromethyl)-1-methyl-5-phenyl-1H-pyrazole

Supply Marketing:

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

Manufacturers and distributors:

Manufacture/Brand
Chemicals and raw materials
Packaging
price

TRC
3-(chloromethyl)-1-methyl-5-phenyl-1H-pyrazole
2.5mg
$ 45.00

American Custom Chemicals Corporation
3-(CHLOROMETHYL)-1-METHYL-5-PHENYL-1H-PYRAZOLE 95.00%
1G
$ 907.14

American Custom Chemicals Corporation
3-(CHLOROMETHYL)-1-METHYL-5-PHENYL-1H-PYRAZOLE 95.00%
250MG
$ 208.34

Total 7 raw suppliers

Chemical Property of 3-(chloromethyl)-1-methyl-5-phenyl-1H-pyrazole

Chemical Property:

Vapor Pressure:0.000197mmHg at 25°C
Melting Point:59 °C
Refractive Index:1.589
Boiling Point:338.1°C at 760 mmHg
Flash Point:158.3°C
PSA：17.82000
Density:1.17g/cm³
LogP:2.82590
XLogP3:2.3
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:1
Rotatable Bond Count:2
Exact Mass:206.0610761
Heavy Atom Count:14
Complexity:180

Purity/Quality:

98%min ^*data from raw suppliers

3-(chloromethyl)-1-methyl-5-phenyl-1H-pyrazole ^*data from reagent suppliers

Safty Information:

Pictogram(s): T
Hazard Codes:T
Statements: 25
Safety Statements: 45

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CN1C(=CC(=N1)CCl)C2=CC=CC=C2

Technology Process of 3-(chloromethyl)-1-methyl-5-phenyl-1H-pyrazole

There total 3 articles about 3-(chloromethyl)-1-methyl-5-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: 100.0%

: 124344-98-5
(1-methyl-5-phenyl-1H-pyrazol-3-yl)methanol

: 869901-13-3
3-chloromethyl-1-methyl-5-phenyl-1H-pyrazole

Guidance literature:: With methanesulfonyl chloride; triethylamine; In dichloromethane; at 0 - 20 ℃; for 16h;

Reference yield:

: 10199-51-6
1-methyl-5-phenyl-1H-prazole-3-carboxylic acid ethyl ester

: 869901-13-3
3-chloromethyl-1-methyl-5-phenyl-1H-pyrazole

Guidance literature:: Multi-step reaction with 2 steps

1: calcium chloride; sodium tetrahydroborate / tetrahydrofuran / 24 h

2: methanesulfonyl chloride; triethylamine / dichloromethane / 16 h / 0 - 20 °C

With sodium tetrahydroborate; methanesulfonyl chloride; triethylamine; calcium chloride; In tetrahydrofuran; dichloromethane;

Reference yield:

: 5932-30-9
ethyl 5-phenylpyrazole-3-carboxylate

: 869901-13-3
3-chloromethyl-1-methyl-5-phenyl-1H-pyrazole

Guidance literature:: Multi-step reaction with 3 steps

1: potassium carbonate / N,N-dimethyl-formamide / 0.25 h / 20 °C

2: calcium chloride; sodium tetrahydroborate / tetrahydrofuran / 24 h

3: methanesulfonyl chloride; triethylamine / dichloromethane / 16 h / 0 - 20 °C

With sodium tetrahydroborate; potassium carbonate; methanesulfonyl chloride; triethylamine; calcium chloride; In tetrahydrofuran; dichloromethane; N,N-dimethyl-formamide;