3-(4-Nitrophenyl)-2-propionyl-2,3,3a,5,6,7-hexahydro-4,7-ethanopyrazolo[4,3-b]pyridine

Base Information

Chemical Name:3-(4-Nitrophenyl)-2-propionyl-2,3,3a,5,6,7-hexahydro-4,7-ethanopyrazolo[4,3-b]pyridine
CAS No.:6087-61-2
Molecular Formula:C₂₁H₃₀O₂
Molecular Weight:314.468
Hs Code.:
DSSTox Substance ID:DTXSID90387276

Synonyms:6087-61-2;3-(4-nitrophenyl)-2-propionyl-2,3,3a,5,6,7-hexahydro-4,7-ethanopyrazolo[4,3-b]pyridine;AI-346/37349002;1-[3-(4-nitrophenyl)-1,4,5-triazatricyclo[5.2.2.02,6]undec-5-en-4-yl]propan-1-one;CBMicro_019158;Cambridge id 6087612;Oprea1_191397;Oprea1_582816;DTXSID90387276;SUQLDIGMLLWLIT-UHFFFAOYSA-N;CCG-13864;STL058938;AKOS000669980;AKOS022008788;AKOS025261839;BIM-0019181.P001;EU-0005851;SR-01000441864;SR-01000441864-1;3-{4-nitrophenyl}-4-propionyl-1,4,5-triazatricyclo[5.2.2.0~2,6~]undec-5-ene;1-[3-(4-nitrophenyl)-3,3a,6,7-tetrahydro-4,7-ethanopyrazolo[4,3-b]pyridin-2(5H)-yl]propan-1-one

Suppliers and Price of 3-(4-Nitrophenyl)-2-propionyl-2,3,3a,5,6,7-hexahydro-4,7-ethanopyrazolo[4,3-b]pyridine

Supply Marketing:

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

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Chemical Property of 3-(4-Nitrophenyl)-2-propionyl-2,3,3a,5,6,7-hexahydro-4,7-ethanopyrazolo[4,3-b]pyridine

Chemical Property:

Vapor Pressure:3.65E-10mmHg at 25°C
XLogP3:1.7
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:2
Exact Mass:328.15354051
Heavy Atom Count:24
Complexity:557

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:

Useful:

Canonical SMILES:CCC(=O)N1C(C2C(=N1)C3CCN2CC3)C4=CC=C(C=C4)[N+](=O)[O-]

Technology Process of 3-(4-Nitrophenyl)-2-propionyl-2,3,3a,5,6,7-hexahydro-4,7-ethanopyrazolo[4,3-b]pyridine

There total 22 articles about 3-(4-Nitrophenyl)-2-propionyl-2,3,3a,5,6,7-hexahydro-4,7-ethanopyrazolo[4,3-b]pyridine 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: 66.0%

: 1-methoxy-6,6,9-trimethyl-3-pentyl-6a,7,10,10a-tetrahydro-6H-benzo[c]chromene

: 6087-61-2
(+)-trans-Δ⁸-tetrahydrocannabinol

Guidance literature:: With sodium thiomethoxide; In N,N-dimethyl-formamide; at 140 ℃; for 10h;
DOI:10.1021/jo100785w

Reference yield:

: 114534-53-1
2-[(1R,6R)-3-Methyl-6-(1-methyl-1-trimethylsilanyloxy-ethyl)-cyclohex-3-enyl]-5-pentyl-3-triisopropylsilanyloxy-phenol

: 6087-61-2
(+)-trans-Δ⁸-tetrahydrocannabinol

Guidance literature:: With hydrogenchloride; In ethanol; Yield given; Heating;
DOI:10.1021/ja00219a073

Reference yield:

: 2-((1R,6R)-6-Hydroxyethynyl-4-methyl-cyclohex-3-enyl)-propan-2-ol

: 6087-61-2
(+)-trans-Δ⁸-tetrahydrocannabinol

Guidance literature:: Multi-step reaction with 4 steps

1: n-BuLi / tetrahydrofuran / -78 deg C to room temp.

2: n-BuLi / tetrahydrofuran / -78 deg C to room temp.

3: toluene / 1 h / 80 °C

4: HCl / ethanol / Heating

With hydrogenchloride; n-butyllithium; In tetrahydrofuran; ethanol; toluene;
DOI:10.1021/ja00219a073