1-methyl-1H-pyrazole-5-carbonyl chloride

Base Information

• Chemical Name: 1-methyl-1H-pyrazole-5-carbonyl chloride
• CAS No.: 84547-59-1
• Molecular Formula: C5H5ClN2O
• Molecular Weight: 144.56
• Hs Code.: 2933199090
• European Community (EC) Number: 816-010-0
• DSSTox Substance ID: DTXSID80390390
• Wikidata: Q82187060
• Mol file: 84547-59-1.mol

Synonyms:1-methyl-1H-pyrazole-5-carbonyl chloride;84547-59-1;2-methylpyrazole-3-carbonyl chloride;2-Methyl-2H-pyrazole-3-carbonyl chloride;MFCD03419361;1H-Pyrazole-5-carbonyl chloride, 1-methyl-;SCHEMBL892658;1-methylpyrazol-5-oyl chloride;DTXSID80390390;JJMGMMBYVVRVHI-UHFFFAOYSA-N;BBL037395;STK348979;AKOS000307962;AB92309;FS-5973;1-methyl-1h-pyrazole-5-carbonylchloride;FT-0679536;EN300-228246;F2146-0664

Chemical Property of 1-methyl-1H-pyrazole-5-carbonyl chloride

Chemical Property:

• Vapor Pressure: 0.0813mmHg at 25°C
• Refractive Index: 1.584
• Boiling Point: 226.6 °C at 760 mmHg
• Flash Point: 90.8 °C
• PSA: 34.89000
• Density: 1.37 g/cm³
• LogP: 0.79910
• XLogP3: 1.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 144.0090405
• Heavy Atom Count: 9
• Complexity: 128

Purity/Quality:

99%, ^*data from raw suppliers

1-methyl-1H-pyrazole-5-carbonylchloride ^*data from reagent suppliers

Safty Information:

• Pictogram(s): C
• Hazard Codes: C

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CN1C(=CC=N1)C(=O)Cl

Technology Process of 1-methyl-1H-pyrazole-5-carbonyl chloride

There total 2 articles about 1-methyl-1H-pyrazole-5-carbonyl chloride 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%

1-methyl-1H-pyrazole-5-carboxylic acid (16034-46-1) → 2-methyl-2H-pyrazole-3-carbonyl chloride (84547-59-1)

Guidance literature:

With thionyl chloride; In ethyl acetate; at 80 ℃; for 5h;

Reference yield:

1-methyl-1H-pyrazole-5-carboxylic acid (16034-46-1) + thionyl chloride (7719-09-7) → 2-methyl-2H-pyrazole-3-carbonyl chloride (84547-59-1)

Guidance literature:

With N,N-dimethyl-formamide; In tetrahydrofuran; at 20 ℃; for 2h;

DOI:10.1016/j.bmc.2013.04.042

Reference yield: 83.0%

1-methyl-1H-pyrazole-5-carboxylic acid (16034-46-1) + oxalyl dichloride (79-37-8) + N-[6-(3-amino-4-methylphenoxy)imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide (1005780-53-9) + sodium hydrogencarbonate (144-55-8) + 2-methyl-2H-pyrazole-3-carbonyl chloride (84547-59-1) → N-[5-({2-[(cyclopropylcarbonyl)amino]imidazo[1,2-b]pyridazin-6-yl}oxy)-2-methylphenyl]-1-methyl-1H-pyrazole-5-carboxamide (1005784-61-1)

Guidance literature:

In tetrahydrofuran; N,N-dimethyl acetamide; ethyl acetate; N,N-dimethyl-formamide;

upstream raw materials:

1-methyl-1H-pyrazole-5-carboxylic acid

thionyl chloride

Downstream raw materials:

(1-methyl-1H-pyrazol-5-yl)methanol

1-(1-methyl-1H-pyrazol-5-yl)-3-phenylprop-2-yn-1-one

trans, trans-1,4-bis<2-(1-methylpyrazol-5-yl)vinyl>benzene

1-methyl-5-(p-nitrostyryl)pyrazole

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