1-Ethyl-5-methyl-1H-pyrazole-4-carbaldehyde

Base Information

• Chemical Name: 1-Ethyl-5-methyl-1H-pyrazole-4-carbaldehyde
• CAS No.: 933778-29-1
• Molecular Formula: C7H10N2O
• Molecular Weight: 138.17
• European Community (EC) Number: 673-179-1
• DSSTox Substance ID: DTXSID50341455
• Wikidata: Q82111653
• Mol file: 933778-29-1.mol

Synonyms:1-Ethyl-5-methyl-1H-pyrazole-4-carbaldehyde;933778-29-1;1-ethyl-5-methylpyrazole-4-carbaldehyde;MFCD02056531;SCHEMBL126044;DTXSID50341455;AMY11648;STK292776;AKOS000265785;FS-5827;1-Ethyl-5-methyl-pyrazole-4-carbaldehyde;BP-11042;BB 0221296;CS-0096375;FT-0678456;EN300-92341;Pyrazole-4-carboxaldehyde, 1-ethyl-5-methyl-;1-ethyl-5-methyl-1h-pyrazole-4-carboxaldehyde;1-Ethyl-5-methyl-1H-pyrazole-4-carbaldehyde #;Z275174056;1-Ethyl-5-methyl-1H-pyrazole-4-carbaldehyde, AldrichCPR

Chemical Property of 1-Ethyl-5-methyl-1H-pyrazole-4-carbaldehyde

Chemical Property:

• Vapor Pressure: 0.0343mmHg at 25°C
• Boiling Point: 242.2°C at 760 mmHg
• Flash Point: 100.3°C
• PSA: 34.89000
• Density: 1.08g/cm³
• LogP: 1.02390
• XLogP3: 0.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 138.079312947
• Heavy Atom Count: 10
• Complexity: 127

Purity/Quality:

97% ^*data from raw suppliers

1-ethyl-5-methyl-1h-pyrazole-4-carbaldehyde ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi,Xn
• Hazard Codes: Xi,Xn
• Statements: 22

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCN1C(=C(C=N1)C=O)C

Technology Process of 1-Ethyl-5-methyl-1H-pyrazole-4-carbaldehyde

There total 2 articles about 1-Ethyl-5-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: 100.0%

1-ethyl-5-methyl-1H-pyrazole (43155-07-3) + N,N-dimethyl-formamide (68-12-2,33513-42-7) → N-ethyl-1H-5-methylpyrazole-4-carboxaldehyde (933778-29-1)

Guidance literature:

With trichlorophosphate; at 90 - 100 ℃; for 2h; Time;

Reference yield:

1-ethyl-1H-pyrazole (2817-71-2) → N-ethyl-1H-5-methylpyrazole-4-carboxaldehyde (933778-29-1)

Guidance literature:

Multi-step reaction with 2 steps

1.1: n-butyllithium / tetrahydrofuran / 2 h / -50 - -20 °C / Inert atmosphere

1.2: -20 - 20 °C

2.1: trichlorophosphate / 2 h / 90 - 100 °C

With n-butyllithium; trichlorophosphate; In tetrahydrofuran;

Reference yield: 90.0%

N-ethyl-1H-5-methylpyrazole-4-carboxaldehyde (933778-29-1) → C7H11N3O (1005690-34-5)

Guidance literature:

With hydroxylamine hydrochloride; potassium hydroxide; In ethanol; water;

DOI:10.1134/S1070363212100131

upstream raw materials:

1-ethyl-5-methyl-1H-pyrazole

N,N-dimethyl-formamide

1-ethyl-1H-pyrazole

Downstream raw materials:

4-(1-ethyl-5-methyl-1H-pyrazol-4-ylmethyl)-3'-phenyl-3,4,5,6-tetrahydro-2H-[1,2']bipyrazine hydrochloride

C₂₂H₃₁N₃O₂

C₇H₁₁N₃O

C₇H₉N₃