(1R-(exo,exo))-8-Methyl-3-phenyl-8-azabicyclo(3.2.1)octane-2-methanol

Base Information

• Chemical Name: (1R-(exo,exo))-8-Methyl-3-phenyl-8-azabicyclo(3.2.1)octane-2-methanol
• CAS No.: 50372-82-2
• Molecular Formula: C15H21NO
• Molecular Weight: 231.338
• DSSTox Substance ID: DTXSID90964642
• Wikidata: Q76150465
• Mol file: 50372-82-2.mol

Synonyms:BRN 1534093;(1R-(exo,exo))-8-Methyl-3-phenyl-8-azabicyclo(3.2.1)octane-2-methanol;8-Azabicyclo(3.2.1)octane-2-methanol, 8-methyl-3-phenyl-, (1R-(exo,exo))-;5-21-03-00140 (Beilstein Handbook Reference);50372-82-2;DTXSID90964642;LS-22596;(8-Methyl-3-phenyl-8-azabicyclo[3.2.1]octan-2-yl)methanol

Chemical Property of (1R-(exo,exo))-8-Methyl-3-phenyl-8-azabicyclo(3.2.1)octane-2-methanol

Chemical Property:

• Vapor Pressure: 4.52E-05mmHg at 25°C
• Boiling Point: 336°Cat760mmHg
• Flash Point: 150.3°C
• Density: 1.067g/cm³
• XLogP3: 2.3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 231.162314293
• Heavy Atom Count: 17
• Complexity: 262

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CN1C2CCC1C(C(C2)C3=CC=CC=C3)CO
• Isomeric SMILES: CN1[C@H]2CC[C@@H]1[C@H]([C@H](C2)C3=CC=CC=C3)CO

Technology Process of (1R-(exo,exo))-8-Methyl-3-phenyl-8-azabicyclo(3.2.1)octane-2-methanol

There total 2 articles about (1R-(exo,exo))-8-Methyl-3-phenyl-8-azabicyclo(3.2.1)octane-2-methanol 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: 94.0%

WIN 35,065-2 (50372-80-0) → 2β-(hydroxymethyl)-3β-phenyltropane (50372-82-2)

Guidance literature:

With lithium aluminium tetrahydride; In diethyl ether; at 0 ℃;

DOI:10.1021/jm00049a004

Reference yield:

→ (8-methyl-3-phenyl-nortropan-2-yl)-methanol (50370-55-3,50372-82-2)

Guidance literature:

2a, LiAlH4;

DOI:10.1021/jm00269a600

Reference yield: 84.0%

2β-(hydroxymethyl)-3β-phenyltropane (50372-82-2) → (1R,5S)-2β-formyl-3β-phenyltropane (208988-98-1)

Guidance literature:

With oxalyl dichloride; dimethyl sulfoxide; In dichloromethane; at -78 ℃; for 0.5h;

DOI:10.1021/jm9802564

upstream raw materials:

WIN 35,065-2

Downstream raw materials:

(1R,5S)-2β-formyl-3β-phenyltropane

(1R,2S,3S,5S)-8-Methyl-3-phenyl-2-((Z)-propenyl)-8-aza-bicyclo[3.2.1]octane

3-((1R,2S,3S,5S)-8-Methyl-3-phenyl-8-aza-bicyclo[3.2.1]oct-2-yl)-propionaldehyde

2β-(3'-hydroxypropyl)-3β-phenyltropane

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