8-(4-Methoxyphenyl)-8-azabicyclo[3.2.1]octan-3-one

Base Information

• Chemical Name: 8-(4-Methoxyphenyl)-8-azabicyclo[3.2.1]octan-3-one
• CAS No.: 33205-16-2
• Molecular Formula: C14H17NO2
• Molecular Weight: 231.294
• DSSTox Substance ID: DTXSID80596476

Synonyms:8-(4-methoxyphenyl)-8-azabicyclo[3.2.1]octan-3-one;33205-16-2;SCHEMBL7799214;DTXSID80596476;OWKLQIXASBHXKC-UHFFFAOYSA-N;AKOS000796304;AKOS017481622

Chemical Property of 8-(4-Methoxyphenyl)-8-azabicyclo[3.2.1]octan-3-one

Chemical Property:

• XLogP3: 2.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 231.125928785
• Heavy Atom Count: 17
• Complexity: 281

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1=CC=C(C=C1)N2C3CCC2CC(=O)C3

Technology Process of 8-(4-Methoxyphenyl)-8-azabicyclo[3.2.1]octan-3-one

There total 3 articles about 8-(4-Methoxyphenyl)-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: 20.0%

cyclohepta-2,6-dienone (1192-93-4) + 4-methoxy-aniline (104-94-9) → N-(p-Methoxyphenyl)-8-azabicyclo<3.2.1>octan-3-one (33205-16-2)

Guidance literature:

Michael condensation;

DOI:10.1021/ja00194a044

Reference yield:

cis,trans-2,5-dimethoxytetrahydrofuran (696-59-3) + disodium hydrogenphosphate + acetonedicarboxylic acid (542-05-2) + 4-methoxy-aniline (104-94-9) → 8-(4-methoxyphenyl)-8-aza-bicyclo[3.2.1]octan-3-one (33205-16-2)

Guidance literature:

With hydrogenchloride; sodium hydroxide; In water;

Reference yield:

cis,trans-2,5-dimethoxytetrahydrofuran (696-59-3) + acetonedicarboxylic acid (542-05-2) + 4-methoxy-aniline (104-94-9) → 8-(4-methoxyphenyl)-8-aza-bicyclo[3.2.1]octan-3-one (33205-16-2)

Guidance literature:

With hydrogenchloride; sodium acetate; In 1,4-dioxane; water; for 72h; Ambient temperature;

DOI:10.1002/hlca.19860690416

upstream raw materials:

cis,trans-2,5-dimethoxytetrahydrofuran

acetonedicarboxylic acid

4-methoxy-aniline

cyclohepta-2,6-dienone

Downstream raw materials:

Cyano-[8-(4-methoxy-phenyl)-8-aza-bicyclo[3.2.1]oct-3-ylidene]-acetic acid ethyl ester

2,6-Diamino-5-[(1R,3S,5S)-8-(4-methoxy-phenyl)-8-aza-bicyclo[3.2.1]oct-3-yl]-pyrimidin-4-ol

6-Chloro-5-[(1R,3R,5S)-8-(4-methoxy-phenyl)-8-aza-bicyclo[3.2.1]oct-3-yl]-pyrimidine-2,4-diamine

6-Chloro-5-[(1R,3S,5S)-8-(4-methoxy-phenyl)-8-aza-bicyclo[3.2.1]oct-3-yl]-pyrimidine-2,4-diamine

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