(R)-1-(But-3-yn-1-yl)-2-methylpyrrolidine

Base Information

• Chemical Name: (R)-1-(But-3-yn-1-yl)-2-methylpyrrolidine
• CAS No.: 460747-73-3
• Molecular Formula: C9H15N
• Molecular Weight: 137.225
• DSSTox Substance ID: DTXSID50463626
• Nikkaji Number: J2.316.292J
• Wikidata: Q82288602
• Mol file: 460747-73-3.mol

Synonyms:460747-73-3;(R)-1-(But-3-yn-1-yl)-2-methylpyrrolidine;(2R)-1-BUT-3-YNYL-2-METHYLPYRROLIDINE;1-(3-Butynyl)-2(R)-methylpyrrolidine;(2R)-1-BUT-3-YN-1-YL-2-METHYLPYRROLIDINE;(2R)-1-(3-butynyl)-2-methylpyrrolidine;SCHEMBL489459;DTXSID50463626;NTVFDRLNCQVBCW-SECBINFHSA-N;AKOS006238799;(R)-1-but-3-ynyl-2-methylpyrrolidine;(2R)-1-(3-butynyl)-2-methylpyrolidine;1-But-3-ynyl-2-(R)-methyl-pyrrolidine;1-but-3-ynyl-(2r)-2-methyl-pyrrolidine;(2R)-1-(3-butyn-1-yl)-2-methylpyrrolidine;A912630;J-500903

Chemical Property of (R)-1-(But-3-yn-1-yl)-2-methylpyrrolidine

Chemical Property:

• Boiling Point: 185.4±23.0 °C(Predicted)
• PKA: 9?+-.0.40(Predicted)
• PSA: 3.24000
• Density: 0.890±0.06 g/cm3(Predicted)
• LogP: 1.43190
• Storage Temp.: 2-8°C
• XLogP3: 1.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 137.120449483
• Heavy Atom Count: 10
• Complexity: 142

Purity/Quality:

97% ^*data from raw suppliers

(R)-1-(But-3-yn-1-yl)-2-methylpyrrolidine 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1CCCN1CCC#C
• Isomeric SMILES: C[C@@H]1CCCN1CCC#C

Technology Process of (R)-1-(But-3-yn-1-yl)-2-methylpyrrolidine

There total 6 articles about (R)-1-(But-3-yn-1-yl)-2-methylpyrrolidine 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:

3-butyn-1-yl p-toluenesulfonate (23418-85-1) + (2R)-2-methylpyrrolidine L-(+)-tartrate → (R)-1-(but-3-yn-1-yl)-2-methylpyrrolidine (460747-73-3)

Guidance literature:

(2R)-2-methylpyrrolidine L-(+)-tartrate; With potassium carbonate; In acetonitrile; at 50 ℃; for 24h;

3-butyn-1-yl p-toluenesulfonate; In acetonitrile; at 23 - 50 ℃; for 25h;

DOI:10.1021/jm040118g

Reference yield:

(2R)-2-methylpyrrolidine tartrate + 3-butyn-1-yl p-toluenesulfonate (23418-85-1) → (R)-1-(but-3-yn-1-yl)-2-methylpyrrolidine (460747-73-3)

Guidance literature:

With potassium carbonate; In acetonitrile; at 85 ℃; for 16h;

Reference yield:

2(R)-methylpyrrolidine L-tartrate + 3-butyn-1-yl p-toluenesulfonate (23418-85-1) + potassium carbonate (584-08-7) → (R)-1-(but-3-yn-1-yl)-2-methylpyrrolidine (460747-73-3)

Guidance literature:

In acetonitrile;

upstream raw materials:

3-butyn-1-yl p-toluenesulfonate

(R)-(-)-2-methylpyrrolidine

(R)-2-methylpyrrolidine hydrochloride

potassium carbonate

Downstream raw materials:

1-[3-(2-{2-[(2R)-2-methyl-1-pyrrolidinyl]ethyl}-1-benzofuran-5-yl)phenyl]ethanone

2-methyl-4-(2-{2-[(2R)-2-methyl-1-pyrrolidinyl]ethyl}-1-benzofuran-5-yl)benzonitrile

4-{2-[2-(2R-methylpyrrolidin-1-yl)ethyl]benzofuran-5-yl}benzonitrile