N-{5-[Methoxy(phenyl)acetyl]octahydropyrrolo[3,4-c]pyrazol-3-yl}-4-(4-methylpiperazin-1-yl)benzamide

Base Information

Chemical Name:N-{5-[Methoxy(phenyl)acetyl]octahydropyrrolo[3,4-c]pyrazol-3-yl}-4-(4-methylpiperazin-1-yl)benzamide
CAS No.:916995-51-2
Molecular Formula:C₂₆H₃₀N₆O₃
Molecular Weight:474.563
Hs Code.:
DSSTox Substance ID:DTXSID40702213
Mol file:916995-51-2.mol

Synonyms:DTXSID40702213;916995-51-2;N-{5-[Methoxy(phenyl)acetyl]octahydropyrrolo[3,4-c]pyrazol-3-yl}-4-(4-methylpiperazin-1-yl)benzamide

Suppliers and Price of N-{5-[Methoxy(phenyl)acetyl]octahydropyrrolo[3,4-c]pyrazol-3-yl}-4-(4-methylpiperazin-1-yl)benzamide

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

Total 5 raw suppliers

Chemical Property of N-{5-[Methoxy(phenyl)acetyl]octahydropyrrolo[3,4-c]pyrazol-3-yl}-4-(4-methylpiperazin-1-yl)benzamide

Chemical Property:

Boiling Point:664.149 °C at 760 mmHg
Flash Point:355.465 °C
PSA：89.18000
Density:1.322 g/cm³
LogP:1.80610
XLogP3:1.6
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:6
Exact Mass:478.26923897
Heavy Atom Count:35
Complexity:731

Purity/Quality:: 99% ^*data from raw suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CN1CCN(CC1)C2=CC=C(C=C2)C(=O)NC3C4CN(CC4NN3)C(=O)C(C5=CC=CC=C5)OC

Technology Process of N-{5-[Methoxy(phenyl)acetyl]octahydropyrrolo[3,4-c]pyrazol-3-yl}-4-(4-methylpiperazin-1-yl)benzamide

There total 27 articles about N-{5-[Methoxy(phenyl)acetyl]octahydropyrrolo[3,4-c]pyrazol-3-yl}-4-(4-methylpiperazin-1-yl)benzamide 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: 30.0%

: 827318-78-5
5-((R)-2-methoxy-2-phenylacetyl)-3-[4-(4-methylpiperazin-1-yl)benzoylamino]-5,6-dihydro-4H-pyrrolo[3,4-c]pyrazole-1-carboxylic acid ethyl ester

: 916995-51-2
danusertib

Guidance literature:: With triethylamine; In methanol; at 25 ℃; for 6h; Reagent/catalyst; Concentration;

Reference yield:

: C₂₉H₃₄N₆O₅

: 1044136-93-7,916995-51-2
PHA 739358

Guidance literature:: With triethylamine; In methanol; at 33 ℃;
DOI:10.1016/j.ejmech.2012.07.038

Reference yield:

: 398491-59-3
3-amino-4,6-dihydro-1H-pyrrolo[3,4-c]pyrazole-5-carboxylic acid tert-butyl ester

: 916995-51-2
danusertib

Guidance literature:: Multi-step reaction with 5 steps

1: tetrahydrofuran / 20 h / 22 °C

2: DIEA / tetrahydrofuran / 16 h / 22 °C

3: HCl / dioxane; CH₂Cl₂ / 24 h / 22 °C

4: DIEA / CH₂Cl₂ / 16 h / 22 °C

5: Et₃N; MeOH / 3 h / 30 °C

With hydrogenchloride; methanol; triethylamine; N-ethyl-N,N-diisopropylamine; In tetrahydrofuran; 1,4-dioxane; dichloromethane;
DOI:10.1021/jm060897w