Ethyl 3-(4-(4-methylpiperazin-1-yl)benzamido)-5,6-dihydropyrrolo[3,4-c]pyrazole-1(4H)-carboxylate

Base Information

Chemical Name:Ethyl 3-(4-(4-methylpiperazin-1-yl)benzamido)-5,6-dihydropyrrolo[3,4-c]pyrazole-1(4H)-carboxylate
CAS No.:761443-50-9
Molecular Formula:C₂₀H₂₆N₆O₃
Molecular Weight:398.465
Hs Code.:2933990090
DSSTox Substance ID:DTXSID80466387
Wikidata:Q82292943
Mol file:761443-50-9.mol

Synonyms:761443-50-9;1-Ethyloxycarbonyl-3-[4-(4-methyl-piperazin-1-yl)-benzoylamino]-5,6-dihydro-pyrrolo[3,4-c]pyrazole;Ethyl 3-(4-(4-methylpiperazin-1-yl)benzamido)-5,6-dihydropyrrolo[3,4-c]pyrazole-1(4H)-carboxylate;MFCD11053613;ethyl 3-[[4-(4-methylpiperazin-1-yl)benzoyl]amino]-5,6-dihydro-4H-pyrrolo[3,4-c]pyrazole-1-carboxylate;Ethyl 3-[4-(4-methylpiperazin-1-yl)benzamido]-5,6-dihydropyrrolo[3,4-c]pyrazole-1(4H)-carboxylate;1-Ethyloxycarbonyl-3-[4-(4-methyl-piperazin-1-yl)-benzoylamino]-5,6-dihydro-pyrrolo[3,4;SCHEMBL5449603;DTXSID80466387;AKOS027327674;AS-37694;Ethyl 3-[4-(4-Methyl-1-piperazinyl)benzamido]-5,6-dihydropyrrolo[3,4-c]pyrazole-1(4H)-carboxylate;SY240963;CS-0172361;FT-0687661;A923190;3-[4-(4-METHYL-PIPERAZIN-1-YL)-BENZOYLAMINO]-5,6-DIHYDRO-4H-PYRROLO[3,4-C]PYRAZOLE-1-CARBOXYLIC ACID ETHYL ESTER;Ethyl3-((4-(4-methylpiperazin-1-yl)benzoyl)imino)-3,4,5,6-tetrahydropyrrolo[3,4-c]pyrazole-1(2H)-carboxylate;Ethyl3-(4-(4-methylpiperazin-1-yl)benzamido)-5,6-dihydropyrrolo[3,4-c]pyrazole-1(4H)-carboxylate

Suppliers and Price of Ethyl 3-(4-(4-methylpiperazin-1-yl)benzamido)-5,6-dihydropyrrolo[3,4-c]pyrazole-1(4H)-carboxylate

Supply Marketing:

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

Manufacturers and distributors:

Manufacture/Brand
Chemicals and raw materials
Packaging
price

Crysdot
Ethyl3-(4-(4-methylpiperazin-1-yl)benzamido)-5,6-dihydropyrrolo[3,4-c]pyrazole-1(4H)-carboxylate 97%
1g
$ 691.00

American Custom Chemicals Corporation
3-[4-(4-METHYL-PIPERAZIN-1-YL)-BENZOYLAMINO]-5,6-DIHYDRO-4H-PYRROLO[3,4-C]PYRAZOLE-1-CARBOXYLIC ACID 95.00%
1G
$ 1452.87

Alichem
Ethyl3-(4-(4-methylpiperazin-1-yl)benzamido)-5,6-dihydropyrrolo[3,4-c]pyrazole-1(4H)-carboxylate
1g
$ 725.92

AK Scientific
Ethyl3-(4-(4-methylpiperazin-1-yl)benzamido)-5,6-dihydropyrrolo[3,4-c]pyrazole-1(4H)-carboxylate
1g
$ 998.00

Total 9 raw suppliers

Chemical Property of Ethyl 3-(4-(4-methylpiperazin-1-yl)benzamido)-5,6-dihydropyrrolo[3,4-c]pyrazole-1(4H)-carboxylate

Chemical Property:

PKA:13.43±0.20(Predicted)
PSA：91.73000
Density:1.39±0.1 g/cm3(Predicted)
LogP:1.89970
XLogP3:1
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:5
Exact Mass:398.20663871
Heavy Atom Count:29
Complexity:589

Purity/Quality:

97% ^*data from raw suppliers

Ethyl3-(4-(4-methylpiperazin-1-yl)benzamido)-5,6-dihydropyrrolo[3,4-c]pyrazole-1(4H)-carboxylate 97% ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CCOC(=O)N1C2=C(CNC2)C(=N1)NC(=O)C3=CC=C(C=C3)N4CCN(CC4)C

Technology Process of Ethyl 3-(4-(4-methylpiperazin-1-yl)benzamido)-5,6-dihydropyrrolo[3,4-c]pyrazole-1(4H)-carboxylate

There total 9 articles about Ethyl 3-(4-(4-methylpiperazin-1-yl)benzamido)-5,6-dihydropyrrolo[3,4-c]pyrazole-1(4H)-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:

: 761443-69-0
5-tert-butyl 1-ethyl 3-{[4-(4-methylpiperazin-1-yl)benzoyl]amino}-4,6-dihydropyrrolo[3,4-c]pyrazole-1,5-dicarboxylate

: 761443-50-9
3-[4-(N-methylpiperazin-1-yl)benzamido]-1-ethoxycarbonyl-4,6-dihydropyrrolo[3,4-c]pyrazole

Guidance literature:: With hydrogenchloride; In 1,4-dioxane; dichloromethane; at 25 ℃; for 24h; Reagent/catalyst;

Reference yield:

: 44981-94-4
N-cyanoethyl glycine ethyl ester

: 761443-50-9
3-[4-(N-methylpiperazin-1-yl)benzamido]-1-ethoxycarbonyl-4,6-dihydropyrrolo[3,4-c]pyrazole

Guidance literature:: Multi-step reaction with 5 steps

1.1: 25 - 50 °C

2.1: sodium / ethanol / 25 °C / Reflux

3.1: ethanol / 60 °C

4.1: N,N-dimethyl-formamide; oxalyl dichloride / dichloromethane / 25 °C / Reflux

4.2: 26 h / 25 °C / Cooling with ice

5.1: hydrogenchloride / dichloromethane; 1,4-dioxane / 24 h / 25 °C

With hydrogenchloride; oxalyl dichloride; sodium; N,N-dimethyl-formamide; In 1,4-dioxane; ethanol; dichloromethane;

Reference yield:

: 266353-18-8
N-tert-butoxycarbonyl-2-(2-cyanoethyl)aminoacetic acid ethyl ester

: 761443-50-9
3-[4-(N-methylpiperazin-1-yl)benzamido]-1-ethoxycarbonyl-4,6-dihydropyrrolo[3,4-c]pyrazole

Guidance literature:: Multi-step reaction with 4 steps

1.1: sodium / ethanol / 25 °C / Reflux

2.1: ethanol / 60 °C

3.1: N,N-dimethyl-formamide; oxalyl dichloride / dichloromethane / 25 °C / Reflux

3.2: 26 h / 25 °C / Cooling with ice

4.1: hydrogenchloride / dichloromethane; 1,4-dioxane / 24 h / 25 °C

With hydrogenchloride; oxalyl dichloride; sodium; N,N-dimethyl-formamide; In 1,4-dioxane; ethanol; dichloromethane;