1H-Pyrazole, 1-(phenylmethoxy)-

Base Information

• Chemical Name: 1H-Pyrazole, 1-(phenylmethoxy)-
• CAS No.: 100159-47-5
• Molecular Formula: C10H10N2O
• Molecular Weight: 174.202
• DSSTox Substance ID: DTXSID70434833
• Nikkaji Number: J680.866B
• Wikidata: Q82249371
• Mol file: 100159-47-5.mol

Synonyms:1-(Benzyloxy)-1H-pyrazole;100159-47-5;1H-Pyrazole, 1-(phenylmethoxy)-;1-phenylmethoxypyrazole;1-(BENZYLOXY)PYRAZOLE;N-benzyloxypyrazole;1-benzyloxy-1H-pyrazole;SCHEMBL99339;DTXSID70434833;XQEPQBYKPDAGIZ-UHFFFAOYSA-N;AKOS005263920;CS-0080698;D74248;EN300-301529

Chemical Property of 1H-Pyrazole, 1-(phenylmethoxy)-

Chemical Property:

• XLogP3: 2.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 174.079312947
• Heavy Atom Count: 13
• Complexity: 146

Purity/Quality:

98%min ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C=C1)CON2C=CC=N2

Technology Process of 1H-Pyrazole, 1-(phenylmethoxy)-

There total 2 articles about 1H-Pyrazole, 1-(phenylmethoxy)- 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: 99.0%

benzyl bromide (100-39-0) + 1H-pyrazol-1-ol (81945-73-5) → 1-(benzyloxy)pyrazole (100159-47-5)

Guidance literature:

With N-ethyl-N,N-diisopropylamine; In dichloromethane; for 16h; Ambient temperature;

DOI:10.1021/jo00121a017

Reference yield:

1-benzyloxy-5-(tert-butyldiphenylsilyl)pyrazole → 1-(benzyloxy)pyrazole (100159-47-5)

Guidance literature:

With tetrabutyl ammonium fluoride; In tetrahydrofuran; at 0 ℃;

DOI:10.1021/jo981970w

Reference yield: 100.0%

tributyltin chloride (1461-22-9) + 1-(benzyloxy)pyrazole (100159-47-5) → 1-benzyloxy-5-tributylstannanyl-1H-pyrazole (912574-86-8)

Guidance literature:

1-(benzyloxy)pyrazole; With n-butyllithium; In tetrahydrofuran; at -78 ℃; for 2h;

tributyltin chloride; In tetrahydrofuran; at -78 - 20 ℃; for 2h;

upstream raw materials:

benzyl bromide

1H-pyrazol-1-ol

Downstream raw materials:

1-(Benzyloxy)-5-(trimethylsilyl)pyrazole

1-benzyloxypyrazol-5-carbaldehyde

1H-pyrazol-1-ol

1-(Benzyloxy)-5-bromopyrazole