3-diazo-4-ethoxycarbonyl-3H-pyrazol

Base Information

• Chemical Name: 3-diazo-4-ethoxycarbonyl-3H-pyrazol
• CAS No.: 64781-75-5
• Molecular Formula: C6H6 N4 O2
• Molecular Weight: 166.139
• DSSTox Substance ID: DTXSID90502321
• NSC Number: 119152
• Mol file: 64781-75-5.mol

Synonyms:64781-75-5;3-diazo-4-ethoxycarbonyl-3H-pyrazol;DTXSID90502321;NSC119152;NSC-119152;(E)-(3-Diazonio-4H-pyrazol-4-ylidene)(ethoxy)methanolate

Chemical Property of 3-diazo-4-ethoxycarbonyl-3H-pyrazol

Chemical Property:

• XLogP3: 1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 166.04907545
• Heavy Atom Count: 12
• Complexity: 312

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=NC1=[N+]=[N-]

Technology Process of 3-diazo-4-ethoxycarbonyl-3H-pyrazol

There total 2 articles about 3-diazo-4-ethoxycarbonyl-3H-pyrazol 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:

ethyl 5-amino-1H-pyrazole-4-carboxylate (1260243-04-6,6994-25-8) → ethyl 5-diazopyrazole-4-carboxylate (64781-75-5)

Guidance literature:

With hydrogenchloride; sodium nitrite; at -5 ℃;

DOI:10.1016/j.tet.2013.06.062

Reference yield:

→ ethyl 5-diazopyrazole-4-carboxylate (64781-75-5)

Guidance literature:

aus Verb. (IIIa) u. NaNO2, in verd.HCl, 0grad, 0.5 h;

DOI:10.1002/jps.2600600408

Reference yield: 85.0%

p-chlorphenylisocyanate (104-12-1) + ethyl 5-diazopyrazole-4-carboxylate (64781-75-5) → ethyl 3-(p-chlorophenyl)-4-oxopyrazolo[5,1-d][1,2,3,5]tetrazine-8-carboxylate

Guidance literature:

In ethyl acetate; at -10 - 20 ℃; Darkness;

DOI:10.1007/s11172-016-1522-9

upstream raw materials:

ethyl 5-amino-1H-pyrazole-4-carboxylate

Downstream raw materials:

3,4-Dihydro-4-oxo-3-phenyl-pyrazolo<5,1-d>-1,2,3,5-tetrazin-8-carbonsaeure-ethylester

3-(3,3-dimethyl-triaz-1-enyl)-1(2)H-pyrazole-4-carboxylic acid ethyl ester