3-(Chloromethyl)-1,5-dimethyl-1H-pyrazole

Base Information

• Chemical Name: 3-(Chloromethyl)-1,5-dimethyl-1H-pyrazole
• CAS No.: 180519-09-9
• Molecular Formula: C₆H₉ClN₂
• Molecular Weight: 144.604
• Hs Code.: 29339900
• European Community (EC) Number: 845-534-2
• DSSTox Substance ID: DTXSID10428716
• Nikkaji Number: J2.451.723C
• Wikidata: Q82241529
• Mol file: 180519-09-9.mol

Synonyms:3-(Chloromethyl)-1,5-dimethyl-1H-pyrazole;180519-09-9;3-(chloromethyl)-1,5-dimethylpyrazole;3-Chloromethyl-1,5-dimethyl-1H-pyrazole;1H-Pyrazole, 3-(chloromethyl)-1,5-dimethyl-;SCHEMBL1116504;PRASEODYMIUMOXALATEHYDRATE;DTXSID10428716;BXDLNPSUWNWPNY-UHFFFAOYSA-N;AMY33720;3-chloromethyl-1,5-dimethylpyrazole;MFCD08060499;STL589299;AKOS006380114;PB14522;AS-34389;1,5-Dimethyl-3-(chloromethyl)-1H-pyrazole;CS-0051709;FT-0650540;EN300-87842;A881109;J-510831;3-(Chloromethyl)-1,5-dimethyl-1H-pyrazole 97%;3-(Chloromethyl)-1,5-dimethyl-1h-pyrazole ,97%

Chemical Property of 3-(Chloromethyl)-1,5-dimethyl-1H-pyrazole

Chemical Property:

• Vapor Pressure: 0.127mmHg at 25°C
• Melting Point: 63 °C
• Boiling Point: 225.8°Cat760mmHg
• Flash Point: 90.4°C
• PSA: 17.82000
• Density: 1.17g/cm³
• LogP: 1.46730
• XLogP3: 1.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 144.0454260
• Heavy Atom Count: 9
• Complexity: 97.1

Purity/Quality:

97% ^*data from raw suppliers

3-(Chloromethyl)-1,5-dimethyl-1H-pyrazole ^*data from reagent suppliers

Safty Information:

• Hazard Codes: C
• Statements: 20/21/22-58-52
• Safety Statements: 16-3/7-36/37

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC(=NN1C)CCl

Technology Process of 3-(Chloromethyl)-1,5-dimethyl-1H-pyrazole

There total 4 articles about 3-(Chloromethyl)-1,5-dimethyl-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: 99.0%

(1,5-dimethyl-1H-pyrazol-3-yl)methanol (153912-60-8) → 3-(chloromethyl)-1-methyl-5-methylpyrazole (180519-09-9)

Guidance literature:

With thionyl chloride; In dichloromethane; at 0 - 20 ℃; for 2h; Inert atmosphere;

DOI:10.1021/ol200114k

Reference yield:

ethyl 1,5-dimethyl-1H-pyrazole-3-carboxylate (5744-51-4) → 3-(chloromethyl)-1-methyl-5-methylpyrazole (180519-09-9)

Guidance literature:

Multi-step reaction with 2 steps

1.1: diisobutylaluminium hydride / dichloromethane / 4 h / -78 - 0 °C / Inert atmosphere

1.2: 0 - 20 °C / Inert atmosphere

2.1: thionyl chloride / dichloromethane / 2 h / 0 - 20 °C / Inert atmosphere

With thionyl chloride; diisobutylaluminium hydride; In dichloromethane;

DOI:10.1021/ol200114k

Reference yield:

ethyl 2,4-diketopentanoate (615-79-2) → 3-(chloromethyl)-1-methyl-5-methylpyrazole (180519-09-9)

Guidance literature:

Multi-step reaction with 3 steps

1.1: ethanol / 1.5 h / 0 °C / Inert atmosphere

2.1: diisobutylaluminium hydride / dichloromethane / 4 h / -78 - 0 °C / Inert atmosphere

2.2: 0 - 20 °C / Inert atmosphere

3.1: thionyl chloride / dichloromethane / 2 h / 0 - 20 °C / Inert atmosphere

With thionyl chloride; diisobutylaluminium hydride; In ethanol; dichloromethane;

DOI:10.1021/ol200114k

upstream raw materials:

ethyl 1,5-dimethyl-1H-pyrazole-3-carboxylate

ethyl 2,4-diketopentanoate

(1,5-dimethyl-1H-pyrazol-3-yl)methanol

ethyl 5-methyl-1H-pyrazole-3-carboxylate

Downstream raw materials:

(S)-benzofuran-5-ylmethyl 1-(diisobutylamino)-3-(4-((1,5-dimethyl-1H-pyrazol-3-yl)methoxy)phenyl)-1-oxopropan-2-ylcarbamate

Post a RFQ

Cas No.:

Product Name:

Quantity:

Please select Metric Ton KG G Pound L ML

Email:

Company name:

Valid Period:

Detailed Requirements:

• Sample
• MOQ
• GMP
• FDA
• Price
  FOB CIF CFR EXW
• Urgent purchase

Enter 15 to 2000 letters.Word count: 0 letters

Attach files(File Format: Jpeg, Jpg, Gif, Png, PDF, PPT, Zip, Rar,Word or Excel Maximum File Size: 3MB)

Remove

Submit

1

What can I do for you?
Get Best Price

Get Best Price for 180519-09-9 3-(CHLOROMETHYL)-1,5-DIMETHYL-1H-PYRAZOLE

Send

Send

Metric Ton KG G Pound L ML

Send

Send