8-(3-Hydroxypropyl)-8-azabicyclo[3.2.1]octan-3-one

Base Information

• Chemical Name: 8-(3-Hydroxypropyl)-8-azabicyclo[3.2.1]octan-3-one
• CAS No.: 103323-43-9
• Molecular Formula: C₁₀H₁₇NO₂
• Molecular Weight: 183.25
• DSSTox Substance ID: DTXSID80556055
• Mol file: 103323-43-9.mol

Synonyms:8-(3-HYDROXYPROPYL)-8-AZABICYCLO[3.2.1]OCTAN-3-ONE;103323-43-9;SCHEMBL7804376;DTXSID80556055;OEVONUDXBNEUAW-UHFFFAOYSA-N

Chemical Property of 8-(3-Hydroxypropyl)-8-azabicyclo[3.2.1]octan-3-one

Chemical Property:

• PSA: 40.54000
• LogP: 0.50260
• XLogP3: 0
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 183.125928785
• Heavy Atom Count: 13
• Complexity: 189

Purity/Quality:

98%min ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CC2CC(=O)CC1N2CCCO

Technology Process of 8-(3-Hydroxypropyl)-8-azabicyclo[3.2.1]octan-3-one

There total 2 articles about 8-(3-Hydroxypropyl)-8-azabicyclo[3.2.1]octan-3-one 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:

acetonedicarboxylic acid (542-05-2) + butanedial (638-37-9) + propan-1-ol-3-amine (156-87-6) → 8-(3-hydroxypropyl)-8-azabicyclo[3.2.1]octan-3-one (103323-43-9,124608-82-8)

Guidance literature:

With hydrogenchloride; sodium hydroxide; disodium hydrogenphosphate; In water; at 20 - 80 ℃; pH=4 - 5;

DOI:10.3987/COM-00-9026

Reference yield:

→ 8-(3-hydroxypropyl)-8-azabicyclo[3.2.1]octan-3-one (103323-43-9,124608-82-8)

Guidance literature:

2,5-Dimethoxy-tetrahydrofuran, Acetondicarbonsaeure, 3-Amino-propanol-(1)/W. (pH=4.5);

Reference yield: 73.0%

8-(3-hydroxypropyl)-8-azabicyclo[3.2.1]octan-3-one (103323-43-9,124608-82-8) + 2,2-diphenylacetic acid (117-34-0) → N-<γ-(diphenylacetyloxy)propyl>nortropinone (124608-78-2)

Guidance literature:

With dmap; dicyclohexyl-carbodiimide; In dichloromethane; for 3h; Ambient temperature;

DOI:10.1016/0223-5234(89)90105-0

upstream raw materials:

acetonedicarboxylic acid

butanedial

propan-1-ol-3-amine

Downstream raw materials:

N-<γ-(diphenylacetyloxy)propyl>nortropinone

N-<γ-(α,α-diphenylpropionyloxy)propyl>nortropinone

N-(endo-8-(3-hydroxy)propyl-8-azabicyclo[3.2.1]oct-3-yl)-1-isopropyl-2-oxo-1,2-dihydro-3-quinolinecarboxamide

N-<γ-(4-chlorobenzoyloxy)propyl>northropine