3-cyclopropyl-1-methyl-1H-pyrazole-4-carbaldehyde

Base Information

• Chemical Name: 3-cyclopropyl-1-methyl-1H-pyrazole-4-carbaldehyde
• CAS No.: 902837-67-6
• Molecular Formula: C₈H₁₀N₂O
• Molecular Weight: 150.18
• Hs Code.: 2933199090
• European Community (EC) Number: 895-538-3
• DSSTox Substance ID: DTXSID70599092
• Wikidata: Q82494941
• Mol file: 902837-67-6.mol

Synonyms:3-cyclopropyl-1-methyl-1H-pyrazole-4-carbaldehyde;902837-67-6;3-cyclopropyl-1-methylpyrazole-4-carbaldehyde;3-Cyclopropyl-1-methyl-1H-pyrazole-4-carboxaldehyde;SCHEMBL12984375;DTXSID70599092;SSWXTFMBDMMUOI-UHFFFAOYSA-N;AMY11509;BBL038060;MFCD04970939;STK347016;AKOS000311147;AS-55166;DB-022549;CS-0264209;EN300-92323;Y10553;A860850;J-512372;Z1160906100

Chemical Property of 3-cyclopropyl-1-methyl-1H-pyrazole-4-carbaldehyde

Chemical Property:

• Vapor Pressure: 0.006mmHg at 25°C
• Boiling Point: 272.091°C at 760 mmHg
• PKA: 0.58±0.10(Predicted)
• Flash Point: 118.357°C
• PSA: 34.89000
• Density: 1.294g/cm³
• LogP: 1.11000
• Storage Temp.: 2-8°C
• XLogP3: 0.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 150.079312947
• Heavy Atom Count: 11
• Complexity: 168

Purity/Quality:

97% ^*data from raw suppliers

3-cyclopropyl-1-methyl-1H-pyrazole-4-carbaldehyde ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CN1C=C(C(=N1)C2CC2)C=O

Technology Process of 3-cyclopropyl-1-methyl-1H-pyrazole-4-carbaldehyde

There total 3 articles about 3-cyclopropyl-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: 80.0%

1-methyl-3-cyclopropylpyrazole (1053163-67-9) + N,N-dimethyl-formamide (68-12-2,33513-42-7) → 3-cyclopropyl-1-methyl-1H-pyrazole-4-carbaldehyde (902837-67-6)

Guidance literature:

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

1-methyl-3-cyclopropylpyrazole; In 1,2-dichloro-ethane; Cooling with ice; Reflux;

Reference yield:

Cyclopropyl methyl ketone (765-43-5) → 3-cyclopropyl-1-methyl-1H-pyrazole-4-carbaldehyde (902837-67-6)

Guidance literature:

Multi-step reaction with 4 steps

1.1: 26 h / 20 - 120 °C

2.1: hydrazine dihydrochloride / methanol; water / 2 h / Cooling with ice; Reflux

3.1: 4 h / 20 - 135 °C

4.1: trichlorophosphate / 2 h / 20 °C

4.2: Cooling with ice; Reflux

With hydrazine dihydrochloride; trichlorophosphate; In methanol; water;

Reference yield:

1-cyclopropyl-3-(dimethylamino)prop-2-en-1-one (21666-68-2) → 3-cyclopropyl-1-methyl-1H-pyrazole-4-carbaldehyde (902837-67-6)

Guidance literature:

Multi-step reaction with 3 steps

1.1: hydrazine dihydrochloride / methanol; water / 2 h / Cooling with ice; Reflux

2.1: 4 h / 20 - 135 °C

3.1: trichlorophosphate / 2 h / 20 °C

3.2: Cooling with ice; Reflux

With hydrazine dihydrochloride; trichlorophosphate; In methanol; water;

upstream raw materials:

1-methyl-3-cyclopropylpyrazole

N,N-dimethyl-formamide

Cyclopropyl methyl ketone

1-cyclopropyl-3-(dimethylamino)prop-2-en-1-one

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