C₁₂H₁₉NO₃

Base Information

• Chemical Name: C₁₂H₁₉NO₃
• CAS No.: 1932043-29-2
• Molecular Formula: C₁₂H₁₉NO₃
• Molecular Weight: 225.288
• Mol file: 1932043-29-2.mol

Synonyms:

Chemical Property of C₁₂H₁₉NO₃

Chemical Property:

• Boiling Point: 325.8±35.0 °C(Predicted)
• Density: 1.139±0.06 g/cm3(Predicted)

Purity/Quality:

97% ^*data from raw suppliers

tert-Butyl(1S,4S)-5-Oxo-2-azabicyclo[2.2.2]octane-2-carboxylate ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Uses: tert-Butyl (1S,4S)-5-Oxo-2-azabicyclo[2.2.2]octane-2-carboxylate is used in preparation of Azabicyclohexane derivatives as muscarinic M1 and M4 agonists.

Technology Process of C₁₂H₁₉NO₃

There total 10 articles about C₁₂H₁₉NO₃ 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: 96.0%

tert-butyl 5-hydroxy-2-azabicyclo[2.2.2]octane-2-carboxylate (750634-09-4) → tert-butyl 5-oxo-2-azabicyclo[2.2.2]octane-2-carboxylate (617714-22-4,1932043-29-2)

Guidance literature:

With dipyridinium dichromate; In dichloromethane;

DOI:10.1016/S0960-894X(03)00748-0

Reference yield:

2-hydroxy-4-nitrobenzoic acid (619-19-2) → tert-butyl 5-oxo-2-azabicyclo[2.2.2]octane-2-carboxylate (617714-22-4,1932043-29-2)

Guidance literature:

Multi-step reaction with 7 steps

1: 95 percent / SOCl₂

2: 98 percent / H₂ / Pd/C / ethyl acetate

3: 58 percent / H₂ / Rh/Al / acetic acid / 70 h / 58 °C / 2740.88 Torr

4: 80 percent / 1,3,5-trimethyl-benzene / 165 °C

5: 98 percent / LAH / tetrahydrofuran / Heating

6: 96 percent / PDC / CH₂Cl₂

With lithium aluminium tetrahydride; dipyridinium dichromate; thionyl chloride; hydrogen; palladium on activated charcoal; rhodium on aluminium; In tetrahydrofuran; dichloromethane; acetic acid; ethyl acetate; 1,3,5-trimethyl-benzene;

DOI:10.1016/S0960-894X(03)00748-0

Reference yield:

2-hydroxy-4-nitro-benzoic acid methyl ester (13684-28-1) → tert-butyl 5-oxo-2-azabicyclo[2.2.2]octane-2-carboxylate (617714-22-4,1932043-29-2)

Guidance literature:

Multi-step reaction with 6 steps

1: 98 percent / H₂ / Pd/C / ethyl acetate

2: 58 percent / H₂ / Rh/Al / acetic acid / 70 h / 58 °C / 2740.88 Torr

3: 80 percent / 1,3,5-trimethyl-benzene / 165 °C

4: 98 percent / LAH / tetrahydrofuran / Heating

5: 96 percent / PDC / CH₂Cl₂

With lithium aluminium tetrahydride; dipyridinium dichromate; hydrogen; palladium on activated charcoal; rhodium on aluminium; In tetrahydrofuran; dichloromethane; acetic acid; ethyl acetate; 1,3,5-trimethyl-benzene;

DOI:10.1016/S0960-894X(03)00748-0

upstream raw materials:

tert-butyl 5-hydroxy-2-azabicyclo[2.2.2]octane-2-carboxylate

2-hydroxy-4-nitrobenzoic acid

2-hydroxy-4-nitro-benzoic acid methyl ester

4-nitro-o-anisic acid