8-Aza-3-hydroxy-N-methylbicyclo(3.2.1)octane N-oxide dihydrate

Base Information

• Chemical Name: 8-Aza-3-hydroxy-N-methylbicyclo(3.2.1)octane N-oxide dihydrate
• CAS No.: 35772-43-1
• Molecular Formula: C₈H₁₅NO₂
• Molecular Weight: 157.213
• European Community (EC) Number: 252-720-1
• NSC Number: 96607,72853
• DSSTox Substance ID: DTXSID40957165
• Nikkaji Number: J952.905E
• Mol file: 35772-43-1.mol

Synonyms:35772-43-1;8-Aza-3-hydroxy-N-methylbicyclo(3.2.1)octane N-oxide dihydrate;8-methyl-8-oxido-8-azoniabicyclo[3.2.1]octan-3-ol;NSC72853;Tropine N-oxide;Tropine N-oxide B;EINECS 252-720-1;NSC 72853;TROPINE, N-OXIDE;DTXSID40957165;AGFHIYSVIRKUQX-UHFFFAOYSA-N;Tropine, N-oxide, (endo,anti)-;NSC96607;NSC-72853;NSC-96607;FT-0639278;8-Methyl-8-oxo-8lambda~5~-azabicyclo[3.2.1]octan-3-ol;1.alpha.H,5.alpha.H-Tropan-3.alpha.-ol, 8-oxide, stereoisomer;8-Methyl-8-azabicyclo[3.2.1]octan-3-ol 8-oxide, (endo,anti)-;8-Azabicyclo[3.2.1]octan-3-ol, 8-methyl-, 8-oxide, (endo,anti)-

Chemical Property of 8-Aza-3-hydroxy-N-methylbicyclo(3.2.1)octane N-oxide dihydrate

Chemical Property:

• Melting Point: 249℃
• Boiling Point: °Cat760mmHg
• PKA: 14.19±0.20(Predicted)
• Flash Point: °C
• Density: g/cm³
• XLogP3: 0.2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 157.110278721
• Heavy Atom Count: 11
• Complexity: 158

Purity/Quality:

98%min ^*data from raw suppliers

TROPINE-N-OXIDE 98.00% ^*data from reagent suppliers

Safty Information:

• Safety Statements: S24/25:Avoid contact with skin and eyes.

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C[N+]1(C2CCC1CC(C2)O)[O-]

Technology Process of 8-Aza-3-hydroxy-N-methylbicyclo(3.2.1)octane N-oxide dihydrate

There total 5 articles about 8-Aza-3-hydroxy-N-methylbicyclo(3.2.1)octane N-oxide dihydrate 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:

tropacocaine-N oxide (35772-45-3) → tropane-3exo-ol-8-oxide (32663-70-0,32663-71-1,35772-43-1)

Guidance literature:

With hydrogenchloride;

Reference yield:

tropacocain (537-26-8) → tropane-3exo-ol-8-oxide (32663-70-0,32663-71-1,35772-43-1)

Guidance literature:

Multi-step reaction with 2 steps

1: hydrogen peroxide; acetone

2: concentrated hydrochloric acid

With hydrogenchloride; dihydrogen peroxide; acetone;

Reference yield:

hydrogenchloride (7647-01-0,15364-23-5) + tropacocaine-N oxide (35772-45-3) → tropane-3exo-ol-8-oxide (32663-70-0,32663-71-1,35772-43-1)

Guidance literature:

upstream raw materials:

tropacocaine-N oxide

hydrogenchloride

tropacocain

Downstream raw materials:

pseudotropine