2-(1-methyl-1H-pyrazol-4-yl)ethanol

Base Information

• Chemical Name: 2-(1-methyl-1H-pyrazol-4-yl)ethanol
• CAS No.: 176661-75-9
• Molecular Formula: C₆H₁₀N₂O
• Molecular Weight: 126.158
• Hs Code.: 2933199090
• European Community (EC) Number: 816-156-5
• DSSTox Substance ID: DTXSID30588689
• Wikidata: Q82481527
• Mol file: 176661-75-9.mol

Synonyms:176661-75-9;2-(1-methyl-1H-pyrazol-4-yl)ethanol;2-(1-methylpyrazol-4-yl)ethanol;2-(1-Methyl-1H-Pyrazol-4-Yl)Ethan-1-Ol;1H-Pyrazole-4-ethanol, 1-methyl-;2-(1-METHYL-1H-PYRAZOL-4-YL)-ETHANOL;MFCD09864193;SCHEMBL3513227;DTXSID30588689;ZQEOCSYOGWFPTB-UHFFFAOYSA-N;STK510222;AKOS000275085;AT16109;MCULE-1637319512;DA-09215;LS-04741;CS-0159313;EN300-78052;A881509;methyl4-(5-amino-3-ethyl-1H-pyrazol-1-yl)benzoate;Z992949632

Chemical Property of 2-(1-methyl-1H-pyrazol-4-yl)ethanol

Chemical Property:

• Vapor Pressure: 0.0137mmHg at 25°C
• Boiling Point: 247.4°C at 760 mmHg
• PKA: 14.76±0.10(Predicted)
• Flash Point: 103.4°C
• PSA: 38.05000
• Density: 1.12g/cm³
• LogP: -0.04510
• Storage Temp.: 2-8°C
• XLogP3: -0.2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 126.079312947
• Heavy Atom Count: 9
• Complexity: 87.1

Purity/Quality:

97% ^*data from raw suppliers

2-(1-methyl-1H-pyrazol-4-yl)ethanol ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CN1C=C(C=N1)CCO

Technology Process of 2-(1-methyl-1H-pyrazol-4-yl)ethanol

There total 4 articles about 2-(1-methyl-1H-pyrazol-4-yl)ethanol 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: 84.0%

C12H24N2OSi → 2-(1-methyl-1H-pyrazol-4-yl)ethan-1-ol (176661-75-9)

Guidance literature:

With hydrogenchloride; In methanol; at 20 ℃;

Reference yield: 72.0%

3-(dimethoxymethyl)-2-methoxytetrahydrofuran + methylhydrazine (60-34-4) → 2-(1-methyl-1H-pyrazol-4-yl)ethan-1-ol (176661-75-9)

Guidance literature:

With hydrogenchloride; water; at 0 - 100 ℃; for 6h;

DOI:10.1007/s10593-020-02662-z

Reference yield:

2-(1H-pyrazol-4-yl)ethan-1-ol (180207-57-2) → 2-(1-methyl-1H-pyrazol-4-yl)ethan-1-ol (176661-75-9)

Guidance literature:

Multi-step reaction with 3 steps

1.1: 1H-imidazole / N,N-dimethyl-formamide / 20 °C

2.1: sodium hydride / tetrahydrofuran / 0.5 h / 0 °C

2.2: 20 °C

3.1: hydrogenchloride / methanol / 20 °C

With 1H-imidazole; hydrogenchloride; sodium hydride; In tetrahydrofuran; methanol; N,N-dimethyl-formamide;

upstream raw materials:

methylhydrazine

2-(1H-pyrazol-4-yl)ethan-1-ol

Downstream raw materials:

4-(2-methoxyethyl)-1-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole

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