1-Methyl-1H-pyrazole-4-carbaldehyde

Base Information

• Chemical Name: 1-Methyl-1H-pyrazole-4-carbaldehyde
• CAS No.: 25016-11-9
• Molecular Formula: C5H6N2O
• Molecular Weight: 110.115
• Hs Code.: 29331990
• European Community (EC) Number: 627-692-2
• DSSTox Substance ID: DTXSID00341445
• Nikkaji Number: J2.149.191H
• Wikidata: Q72496293
• Mol file: 25016-11-9.mol

Synonyms:1-Methyl-1H-pyrazole-4-carbaldehyde;25016-11-9;1-methylpyrazole-4-carbaldehyde;1-Methyl-1H-pyrazole-4-carboxaldehyde;1H-pyrazole-4-carboxaldehyde, 1-methyl-;MFCD00460465;4-formyl-1-methylpyrazole;1-methylpyrazole-4-carboxaldehyde;1-methylpyrazole-4-carboxyaldehyde;EC-000.1271;1-methylpyrazole-4-aldehyde;SCHEMBL165455;1-methyl-4-formyl-1H-pyrazole;1-methyl-4-pyrazole carbaldehyde;DTXSID00341445;BCP22838;STK256623;1-methyl-1H-pyrazole-4-carboaldehyde;AKOS000206804;Pyrazole-4-carboxaldehyde, 1-methyl-;AC-6392;BCP9000051;CS-W019871;PB23185;PS-3593;1-methyl-1 H-pyrazole-4-carboxaldehyde;1H-Pyrazole-4-carboxaldehyde,1-methyl-;BP-11006;SY017600;A5087;AM20090285;BB 0220714;FT-0645236;M2372;1-Methyl-1H-pyrazole-4-carboxaldehyde, 96%;EN300-14236;W-206918;Z99601138;F2124-0695

Chemical Property of 1-Methyl-1H-pyrazole-4-carbaldehyde

Chemical Property:

• Vapor Pressure: 0.0003mmHg at 25°C
• Melting Point: 29-34 °C
• Refractive Index: 1.502
• Boiling Point: 218.9 °C at 760 mmHg
• PKA: 0.17±0.10(Predicted)
• Flash Point: 86.2 °C
• PSA: 34.89000
• Density: 1.14 g/cm³
• LogP: 0.23260
• Storage Temp.: Refrigerated.
• Sensitive.: Air Sensitive
• XLogP3: -0.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 110.048012819
• Heavy Atom Count: 8
• Complexity: 94.4

Purity/Quality:

98%,99%, ^*data from raw suppliers

1-Methyl-1H-pyrazole-4-carbaldehyde ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 37/38-41-43
• Safety Statements: 26-36/37/39

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: CN1C=C(C=N1)C=O

Technology Process of 1-Methyl-1H-pyrazole-4-carbaldehyde

There total 1 articles about 1-Methyl-1H-pyrazole-4-carbaldehyde 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: 95.0%

triformylmethane (18655-47-5) + methylhydrazine (60-34-4) → 1-methylpyrazole-4-carbaldehyde (25016-11-9)

Guidance literature:

With hydrogenchloride; In methanol; for 16h; Ambient temperature;

Reference yield: 100.0%

1-methylpyrazole-4-carbaldehyde (25016-11-9) + methyl 14-cyclohexyl-5,6,7,8-tetrahydroindolo[2,1-a][2,5]benzodiazocine-11-carboxylate (886042-59-7) → methyl 14-cyclohexyl-6-[(1-methyl-1H-pyrazol-4-yl)methyl]-5,6,7,8-tetrahydroindolo[2,1-a][2,5]benzodiazocine-11-carboxylate (886043-72-7)

Guidance literature:

1-methylpyrazole-4-carbaldehyde; methyl 14-cyclohexyl-5,6,7,8-tetrahydroindolo[2,1-a][2,5]benzodiazocine-11-carboxylate; With acetic acid; In methanol; at 20 ℃; for 0.5h; pH=4;

With sodium cyanoborohydride; In methanol; at 20 ℃; for 16h;

With water; sodium hydrogencarbonate; In methanol;

Reference yield: 97.0%

1-methylpyrazole-4-carbaldehyde (25016-11-9) + diphenyl hydrogen phosphite (4712-55-4) + p-aminoethylbenzoate (94-09-7) → ethyl 4-(((diphenoxyphosphoryl)(1-methyl-1H-pyrazol-4-yl)methyl)amino)benzoate

Guidance literature:

In ethanol; at 60 ℃; for 0.5h; Microwave irradiation;

DOI:10.1007/s00044-019-02436-z

upstream raw materials:

triformylmethane

methylhydrazine

Downstream raw materials:

methyl 7-{4-[2-(butoxy)ethoxy]phenyl}-1-[(1-methyl-1H-pyrazol-4-yl)methyl]-2,3-dihydro-1H-1-benzazepine-4-carboxylate

(E)-ethyl 3-(1-methyl-1H-pyrazol-4-yl)acrylate

methyl 14-cyclohexyl-6-[(1-methyl-1H-pyrazol-4-yl)methyl]-5,6,7,8-tetrahydroindolo[2,1-a][2,5]benzodiazocine-11-carboxylate

Refernces