1-ethyl-1H-pyrazol-4-ol

Base Information

• Chemical Name: 1-ethyl-1H-pyrazol-4-ol
• CAS No.: 75702-85-1
• Molecular Formula: C₅H₈N₂O
• Molecular Weight: 112.131
• DSSTox Substance ID: DTXSID10426898
• Wikidata: Q82239690
• Mol file: 75702-85-1.mol

Synonyms:1-ethyl-1H-pyrazol-4-ol;75702-85-1;1-ethylpyrazol-4-ol;1H-Pyrazol-4-ol, 1-ethyl-;SCHEMBL7459149;DTXSID10426898;RWONCMDCEBQRLV-UHFFFAOYSA-N;MFCD04969811;STK312118;AKOS000310352;AT11883;BS-24361;CS-0135586;EN300-153890;A1-08152;F8888-3923;Z1165304366

Chemical Property of 1-ethyl-1H-pyrazol-4-ol

Chemical Property:

• PSA: 38.05000
• LogP: 0.60860
• XLogP3: 0.2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 112.063662883
• Heavy Atom Count: 8
• Complexity: 76.8

Purity/Quality:

97% ^*data from raw suppliers

1-ethyl-1H-pyrazol-4-ol ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCN1C=C(C=N1)O

Technology Process of 1-ethyl-1H-pyrazol-4-ol

There total 3 articles about 1-ethyl-1H-pyrazol-4-ol 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: 87.0%

1-ethyl-4-(4,4,5,5-tetramethyl-[1,3,2]dioxaborolan-2-yl)-1H-pyrazole (847818-70-6) → 1-ethyl-1H-pyrazol-4-ol (75702-85-1)

Guidance literature:

With water; dihydrogen peroxide; sodium hydroxide; at 25 ℃;

Reference yield: 72.7%

pyrazole-4-boronic acid pinacol ester (269410-08-4) + ethyl iodide (75-03-6) → 1-ethyl-1H-pyrazol-4-ol (75702-85-1)

Guidance literature:

pyrazole-4-boronic acid pinacol ester; With sodium hydride; In tetrahydrofuran; at 0 ℃; for 0.5h; Inert atmosphere;

ethyl iodide; In tetrahydrofuran; at 20 ℃; Inert atmosphere;

With dihydrogen peroxide; sodium hydroxide; In tetrahydrofuran; at 0 ℃; for 1h;

Reference yield: 30.0%

(1-ethyl-1H-pyrazol-4-yl)boronic acid (847818-56-8) → 1-ethyl-1H-pyrazol-4-ol (75702-85-1)

Guidance literature:

With dihydrogen peroxide; acetic acid; In diethyl ether; water; at 20 ℃; for 17h; Reflux;

upstream raw materials:

(1-ethyl-1H-pyrazol-4-yl)boronic acid

1-ethyl-4-(4,4,5,5-tetramethyl-[1,3,2]dioxaborolan-2-yl)-1H-pyrazole

pyrazole-4-boronic acid pinacol ester

ethyl iodide