rac-trans 3'-Aminomethyl Nicotine

Base Information

• Chemical Name: rac-trans 3'-Aminomethyl Nicotine
• CAS No.: 623579-03-3
• Molecular Formula: C11H17N3
• Molecular Weight: 191.27
• European Community (EC) Number: 975-486-9
• DSSTox Substance ID: DTXSID80587763
• Mol file: 623579-03-3.mol

Synonyms:623579-03-3;rac-trans 3'-Aminomethyl Nicotine;[(2R,3S)-1-methyl-2-pyridin-3-ylpyrrolidin-3-yl]methanamine;1391361-71-9;(2S,3R)-rel-1-Methyl-2-(3-pyridinyl)-3-pyrrolidinemethanamine;((2R,3S)-1-Methyl-2-(pyridin-3-yl)pyrrolidin-3-yl)methanamine;1-[(2R,3S)-1-Methyl-2-(pyridin-3-yl)pyrrolidin-3-yl]methanamine;rac-[(2R,3S)-1-methyl-2-(pyridin-3-yl)pyrrolidin-3-yl]methanamine;[(2R,3S)-1-methyl-2-(pyridin-3-yl)pyrrolidin-3-yl]methanamine;SCHEMBL4870566;DTXSID80587763;AKOS030242744;EN300-158748;EN300-253286;G56431;Z2298167235;(+)-(2R,3S)-1-Methyl-2-(3-pyridinyl)-3-pyrrolidinemethanamine

Chemical Property of rac-trans 3'-Aminomethyl Nicotine

Chemical Property:

• PSA: 42.15000
• LogP: 1.67130
• Storage Temp.: -20°C Freezer, Under Inert Atmosphere
• XLogP3: 0.2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 191.142247555
• Heavy Atom Count: 14
• Complexity: 183

Purity/Quality:

99% ,98%,Electron Grade , ^*data from raw suppliers

rac-trans3’-AminomethylNicotine ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CN1CCC(C1C2=CN=CC=C2)CN
• Isomeric SMILES: CN1CC[C@H]([C@@H]1C2=CN=CC=C2)CN
• Uses: A nicotine conjugate for therapy of nicotine addiction. A Nicotine (N412420) conjugate for therapy of nicotine addiction.

Technology Process of rac-trans 3'-Aminomethyl Nicotine

There total 8 articles about rac-trans 3'-Aminomethyl Nicotine 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: 19.0%

(±)-trans-1-methyl-5-oxo-2-(pyridin-3-yl)pyrrolidine-3-carboxamide (939437-34-0) → (±)-trans-(1-methyl-2-(pyridin-3-yl)pyrrolidin-3-yl)methanamine (623579-03-3)

Guidance literature:

With sodium bis(2-methoxyethoxy)aluminium dihydride; In toluene; at 20 ℃; for 18h;

DOI:10.1021/jm501625j

Reference yield:

(±)-trans-(1-methyl-2-(pyridin-3-yl)pyrrolidin-3-yl)methanamine (623579-03-3) → (+)-((2R,3S)-1-methyl-2-(pyridin-3-yl)pyrrolidin-3-yl)methanamine (623579-03-3) + (-)-((2S,3R)-1-methyl-2-(pyridin-3-yl)pyrrolidin-3-yl)methanamine (272124-60-4,623579-03-3)

Guidance literature:

With diethylamine; In methanol; carbon dioxide; at 36 ℃; under 90009 Torr; Overall yield = 80 %; Resolution of racemate; liquid CO₂;

DOI:10.1021/jm501625j

Reference yield:

(±)-trans-(1-methyl-2-(pyridin-3-yl)pyrrolidin-3-yl)methanamine (623579-03-3) → (+)-((2R,3S)-1-methyl-2-(pyridin-3-yl)pyrrolidin-3-yl)methanamine (623579-03-3) + (-)-((2S,3R)-1-methyl-2-(pyridin-3-yl)pyrrolidin-3-yl)methanamine (272124-60-4,623579-03-3)

Guidance literature:

With diethylamine; In methanol; carbon dioxide; at 36 ℃; under 90009 Torr; Overall yield = 80 %; Resolution of racemate; liquid CO₂;

DOI:10.1021/jm501625j

upstream raw materials:

(±)-trans-1-methyl-5-oxo-2-(pyridin-3-yl)pyrrolidine-3-carboxamide

Downstream raw materials:

(-)-((2S,3R)-1-methyl-2-(pyridin-3-yl)pyrrolidin-3-yl)methanamine

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