3-(m-Nitrocinnamyl)-8-propionyl-3,8-diazabicyclo(3.2.1)octane

Base Information

Chemical Name:3-(m-Nitrocinnamyl)-8-propionyl-3,8-diazabicyclo(3.2.1)octane
CAS No.:63990-46-5
Molecular Formula:C₁₈H₂₃N₃O₃
Molecular Weight:329.399
Hs Code.:
Nikkaji Number:J68.473B

Synonyms:BRN 0624838;63990-46-5;3-(m-Nitrocinnamyl)-8-propionyl-3,8-diazabicyclo(3.2.1)octane;3,8-Diazabicyclo(3.2.1)octane, 3-(m-nitrocinnamyl)-8-propionyl-;LS-59819;3-[3-(m-Nitrophenyl)allyl]-8-propionyl-3,8-diazabicyclo[3.2.1]octane;1-Propanone,1-[3-[3-(3-nitrophenyl)-2-propen-1-yl]-3,8-diazabicyclo[3.2.1]oct-8-yl]-;3,8-Diazabicyclo[3.2.1]octane, 3-[3-(3-nitrophenyl)-2-propenyl]-8-(1-oxopropyl)-

Suppliers and Price of 3-(m-Nitrocinnamyl)-8-propionyl-3,8-diazabicyclo(3.2.1)octane

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 4 raw suppliers

Chemical Property of 3-(m-Nitrocinnamyl)-8-propionyl-3,8-diazabicyclo(3.2.1)octane

Chemical Property:

Vapor Pressure:4.4E-11mmHg at 25°C
Boiling Point:524.2°Cat760mmHg
Flash Point:270.8°C
PSA：69.37000
Density:1.214g/cm³
LogP:3.09220
XLogP3:2.6
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:4
Exact Mass:329.17394160
Heavy Atom Count:24
Complexity:488

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

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CCC(=O)N1C2CCC1CN(C2)CC=CC3=CC(=CC=C3)[N+](=O)[O-]
Isomeric SMILES:CCC(=O)N1C2CCC1CN(C2)C/C=C/C3=CC(=CC=C3)[N+](=O)[O-]

Technology Process of 3-(m-Nitrocinnamyl)-8-propionyl-3,8-diazabicyclo(3.2.1)octane

There total 4 articles about 3-(m-Nitrocinnamyl)-8-propionyl-3,8-diazabicyclo(3.2.1)octane 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: 45.0%

: 2016-83-3
3-Chlor-1-(3-nitro-phenyl)-prop-1-en

: 57269-63-3
8-propionil-3,8-diazabiciclo<3,2,1>ottano

: 63990-46-5
3-[3-(3-nitro-phenyl)-allyl]-8-propionyl-3,8-diaza-bicyclo[3.2.1]octane

Guidance literature:: With potassium carbonate; In acetone; for 6h; Heating;
DOI:10.1016/S0014-827X(98)00065-2

Reference yield:

: 67571-90-8
3-benzyl-3,8-diazabicyclo[3.2.1]octane

: 63990-46-5
3-[3-(3-nitro-phenyl)-allyl]-8-propionyl-3,8-diaza-bicyclo[3.2.1]octane

Guidance literature:: Multi-step reaction with 3 steps

1: NEt₃ / toluene / 2 h / Heating

2: H₂ / 10 percent Pd/C / ethanol / Ambient temperature

3: 45 percent / K₂CO₃ / acetone / 6 h / Heating

With hydrogen; potassium carbonate; triethylamine; palladium on activated charcoal; In ethanol; acetone; toluene;
DOI:10.1016/S0014-827X(98)00065-2

Reference yield:

: 63978-12-1
3-benzyl-8-propionyl-3,8-diaza-bicyclo[3.2.1]octane

: 63990-46-5
3-[3-(3-nitro-phenyl)-allyl]-8-propionyl-3,8-diaza-bicyclo[3.2.1]octane

Guidance literature:: Multi-step reaction with 2 steps

1: H₂ / 10 percent Pd/C / ethanol / Ambient temperature

2: 45 percent / K₂CO₃ / acetone / 6 h / Heating

With hydrogen; potassium carbonate; palladium on activated charcoal; In ethanol; acetone;
DOI:10.1016/S0014-827X(98)00065-2