methyl (1R,2S,3S,5S)-3-(4-fluorophenyl)-8-methyl-8-azabicyclo[3.2.1]octane-2-carboxylate

Base Information

• Chemical Name: methyl (1R,2S,3S,5S)-3-(4-fluorophenyl)-8-methyl-8-azabicyclo[3.2.1]octane-2-carboxylate
• CAS No.: 50370-56-4
• Deprecated CAS: 185348-25-8
• Molecular Formula: C₁₆H₂₀FNO₂
• Molecular Weight: 277.339
• European Community (EC) Number: 637-133-4
• UNII: 8ZT6KJ947T
• Nikkaji Number: J409.121C,J23.648I
• Wikipedia: WIN-35428
• Wikidata: Q7950808
• Pharos Ligand ID: GL5HH1UQAPR5
• ChEMBL ID: CHEMBL1944829
• Mol file: 50370-56-4.mol

Synonyms:(1R-(exo,exo))-3-(4-fluorophenyl)-8-methyl-8- azabicyclo(3.2.1)octane-2-carboxylic acid, methyl ester;(3H)2-carbomethoxy-3-(4-fluorophenyl)tropane;2-carbomethoxy-3-(4-fluorophenyl)tropane;2-carbomethoxy-3-(4-fluorophenyl)tropane hydrochloride, (1R-(2-endo,3-exo))-isomer;2-carbomethoxy-3-(4-fluorophenyl)tropane, (1R-(2-endo,3-exo))-isomer;2-carbomethoxy-3-(4-fluorophenyl)tropane, (1S-(2-endo,3-exo))-isomer;2-carbomethoxy-3-(4-fluorophenyl)tropane, (1S-(exo,exo))-isomer;2-carbomethoxy-3-(4-fluorophenyl)tropane, 1,5-naphthalenedisulfonate (1:1), (1R-(exo,exo))-isomer;2-carbomethoxy-3-(4-fluorophenyl)tropane, 1,5-naphthalenedisulfonate (1:1), (1S-(exo,exo))-isomer;2-carbomethoxy-3-(4-fluorophenyl)tropane, 1,5-naphthalenedisulfonate (2:1), (1R-(exo,exo))-isomer;2-CFT;2-CMFT;2beta-carbomethoxy-3beta-(4-fluorophenyl)tropane;beta-CFT;CFT cpd;Win 35,428;Win 35428;Win-35,428;Win-35428

Chemical Property of methyl (1R,2S,3S,5S)-3-(4-fluorophenyl)-8-methyl-8-azabicyclo[3.2.1]octane-2-carboxylate

Chemical Property:

• Appearance/Colour: Colourless crystals
• Vapor Pressure: 4.74E-05mmHg at 25°C
• Melting Point: 91-92℃
• Refractive Index: 1.528
• Boiling Point: 349.3 °C at 760 mmHg
• PKA: 9.92±0.60(Predicted)
• Flash Point: 165.1 °C
• PSA: 29.54000
• Density: 1.155 g/cm³
• LogP: 2.50290
• Storage Temp.: 2-8°C
• Solubility.: H2O: soluble
• XLogP3: 2.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 277.14780704
• Heavy Atom Count: 20
• Complexity: 368

Purity/Quality:

99.0% ^*data from raw suppliers

(-)-2-BETA-CARBOMETHOXY-3-BETA-(4-FLUOROPHENYL)TROPANE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s): T+
• Hazard Codes: T+
• Statements: 26/27/28-43-62
• Safety Statements: 22-26-36/37/39-45

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

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

Technology Process of methyl (1R,2S,3S,5S)-3-(4-fluorophenyl)-8-methyl-8-azabicyclo[3.2.1]octane-2-carboxylate

There total 2 articles about methyl (1R,2S,3S,5S)-3-(4-fluorophenyl)-8-methyl-8-azabicyclo[3.2.1]octane-2-carboxylate 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:

→ [3H]-(–)-2-b-carbomethoxy-3-b-(4-fluorophenyl)tropane. (50370-56-4,50370-57-5,50370-59-7,50373-04-1)

Guidance literature:

wie 24, p-Fluorphenylmagnesiumbromid, Cu2Cl2, chrom. Trennung von 26;

DOI:10.1021/jm00269a600

Reference yield:

→ (-)-Methyl-3β-(p-fluorophenyl)-1αH,5αH-tropane-2α-carboxylate (50370-56-4,50370-57-5,50370-59-7,50373-04-1)

Guidance literature:

wie 24, chrom. Trennung von 25;

DOI:10.1021/jm00269a600

Refernces