ethyl 1-benzyl-1H-pyrazole-4-carboxylate

Base Information

• Chemical Name: ethyl 1-benzyl-1H-pyrazole-4-carboxylate
• CAS No.: 150559-94-7
• Molecular Formula: C13H14N2O2
• Molecular Weight: 230.266
• DSSTox Substance ID: DTXSID10570365
• Wikidata: Q82457776
• Mol file: 150559-94-7.mol

Synonyms:ethyl 1-benzyl-1H-pyrazole-4-carboxylate;150559-94-7;ethyl 1-benzylpyrazole-4-carboxylate;1-Benzyl-1H-pyrazole-4-carboxylic acid ethyl ester;MFCD08558121;1H-Pyrazole-4-carboxylic acid, 1-(phenylmethyl)-, ethyl ester;SCHEMBL553848;DTXSID10570365;TQR0075;1-Benzyl-4-ethoxycarbonylpyrazole;CUTDJCLKKQWXGM-UHFFFAOYSA-N;AKOS005167490;AS-5368;ethyl1-benzyl-1H-pyrazole-4-carboxylate;SY091579;CS-0205292;EN300-85815;V10039;1-benzyl-1 H-pyrazole-4-carboxylic acid ethyl ester

Chemical Property of ethyl 1-benzyl-1H-pyrazole-4-carboxylate

Chemical Property:

• XLogP3: 2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 5
• Exact Mass: 230.105527694
• Heavy Atom Count: 17
• Complexity: 252

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCOC(=O)C1=CN(N=C1)CC2=CC=CC=C2

Technology Process of ethyl 1-benzyl-1H-pyrazole-4-carboxylate

There total 4 articles about ethyl 1-benzyl-1H-pyrazole-4-carboxylate 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: 98.0%

benzyl bromide (100-39-0) → ethyl 1‐benzyl‐1H‐pyrazole‐4‐carboxylate (150559-94-7)

Guidance literature:

4-ethoxycarbonylpyrazole; With sodium hydride; In tetrahydrofuran; at 20 ℃; for 0.8h;

benzyl bromide; In tetrahydrofuran; for 2h;

With water; ammonium chloride; In tetrahydrofuran;

Reference yield: 96.0%

4-ethoxycarbonylpyrazole (37622-90-5) + benzyl bromide (100-39-0) → ethyl 1‐benzyl‐1H‐pyrazole‐4‐carboxylate (150559-94-7)

Guidance literature:

With caesium carbonate; In N,N-dimethyl-formamide; at 20 ℃; for 72h;

Reference yield: 95.0%

4-ethoxycarbonylpyrazole (37622-90-5) + benzyl chloride (100-44-7) → ethyl 1‐benzyl‐1H‐pyrazole‐4‐carboxylate (150559-94-7)

Guidance literature:

With potassium carbonate; In N,N-dimethyl-formamide; at 25 ℃; for 14h;

DOI:10.1002/ejoc.201800166

upstream raw materials:

4-ethoxycarbonylpyrazole

benzyl chloride

benzyl bromide

3-benzylsydnone

Downstream raw materials:

1-benzyl-1H-pyrazole-4-carboxylic acid

1-benzyl-1H-pyrazole-4carboxaldehyde

1-benzyl-1H-pyrazole-4-carbonyl chloride

1-Benzyl-4-diphenylhydroxymethylpyrazole