Pyrrolo(3,4-c)pyrazole-5(1H)-acetic acid, 4,6-dihydro-4-oxo-1-phenyl-, ethyl ester

Base Information

Chemical Name:Pyrrolo(3,4-c)pyrazole-5(1H)-acetic acid, 4,6-dihydro-4-oxo-1-phenyl-, ethyl ester
CAS No.:141581-91-1
Molecular Formula:C₁₅H₁₅N₃O₃
Molecular Weight:285.302
Hs Code.:
DSSTox Substance ID:DTXSID80161764
Nikkaji Number:J470.815F
Wikidata:Q83030212

Synonyms:Ethyl 4,6-dihydro-4-oxo-1-phenylpyrrolo(3,4-c)pyrazole-5(1H)-acetate;Pyrrolo(3,4-c)pyrazole-5(1H)-acetic acid, 4,6-dihydro-4-oxo-1-phenyl-, ethyl ester;2-Ethoxycarbonylmethyl-3-oxo-6-phenyl-1,2-dihydro-3H-pyrrolo(3,4-c)pyrazole;141581-91-1;DTXSID80161764;LS-139466;1,4,5,6-Tetrahydro-4-oxo-1-phenylpyrrolo[3,4-c]pyrazole-5-acetic acid ethyl ester

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Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

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Chemical Property of Pyrrolo(3,4-c)pyrazole-5(1H)-acetic acid, 4,6-dihydro-4-oxo-1-phenyl-, ethyl ester

Chemical Property:

Vapor Pressure:3.08E-09mmHg at 25°C
Boiling Point:476.3°Cat760mmHg
Flash Point:241.9°C
Density:1.32g/cm³
XLogP3:1.2
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:5
Exact Mass:285.11134135
Heavy Atom Count:21
Complexity:409

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CCOC(=O)CN1CC2=C(C1=O)C=NN2C3=CC=CC=C3

Technology Process of Pyrrolo(3,4-c)pyrazole-5(1H)-acetic acid, 4,6-dihydro-4-oxo-1-phenyl-, ethyl ester

There total 4 articles about Pyrrolo(3,4-c)pyrazole-5(1H)-acetic acid, 4,6-dihydro-4-oxo-1-phenyl-, ethyl ester 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: 60.0%

: 141581-90-0
1-ethoxycarbonylmethyl-3-phenylhydrazinomethylenepyrrolidine-2,4-dione

: 141581-91-1
2-ethoxycarbonylmethyl-3-oxo-6-phenyl-1,2-dihydro-3H-pyrrolo<3,4-c>pyrazole

Guidance literature:: With toluene-4-sulfonic acid; In methanol; toluene; for 10h; Heating;
DOI:10.1007/BF00773196

Reference yield:

: 62613-80-3
1-ethoxycarbonylmethylpyrrolidine-2,4-dione

: 141581-91-1
2-ethoxycarbonylmethyl-3-oxo-6-phenyl-1,2-dihydro-3H-pyrrolo<3,4-c>pyrazole

Guidance literature:: Multi-step reaction with 3 steps

1: 70 percent / methanol / 1 h / Ambient temperature

2: 65 percent / CH₃COOH / 1 h / 5 °C

3: 60 percent / toluene-p-sulfonic acid / methanol; toluene / 10 h / Heating

With toluene-4-sulfonic acid; acetic acid; In methanol; toluene;
DOI:10.1007/BF00773196

Reference yield:

: 141581-86-4
1-ethoxycarbonyl-3-dimethylaminomethylenepyrrolidine-2,4-dione

: 141581-91-1
2-ethoxycarbonylmethyl-3-oxo-6-phenyl-1,2-dihydro-3H-pyrrolo<3,4-c>pyrazole

Guidance literature:: Multi-step reaction with 2 steps

1: 65 percent / CH₃COOH / 1 h / 5 °C

2: 60 percent / toluene-p-sulfonic acid / methanol; toluene / 10 h / Heating

With toluene-4-sulfonic acid; acetic acid; In methanol; toluene;
DOI:10.1007/BF00773196