n-[(2r)-1-Phenylpropan-2-yl]prop-2-yn-1-amine

Base Information

• Chemical Name: n-[(2r)-1-Phenylpropan-2-yl]prop-2-yn-1-amine
• CAS No.: 56862-28-3
• Molecular Formula: C12H15N
• Molecular Weight: 173.258
• Hs Code.: 2921499090
• UNII: 5F44WR1I53
• DSSTox Substance ID: DTXSID001315731
• Nikkaji Number: J324.820H
• Wikidata: Q27149135
• ChEMBL ID: CHEMBL145089
• Mol file: 56862-28-3.mol

Synonyms:1-phenyl-2-(N-2-propynyl)aminopropane;demethyl-deprenyl-DMD;demethyldeprenyl-selegiline;desmethyldeprenyl;desmethylselegiline;desmethylselegiline hydrochloride;desmethylselegiline, (+)-isomer;desmethylselegiline, (+-)-isomer;desmethylselegiline, (-)-isomer;di-N-propargylamphetamine;N-desmethyl-selegiline

Chemical Property of n-[(2r)-1-Phenylpropan-2-yl]prop-2-yn-1-amine

Chemical Property:

• Vapor Pressure: 0.00513mmHg at 25°C
• Boiling Point: 275.3°Cat760mmHg
• Flash Point: 121.7°C
• PSA: 12.03000
• Density: 0.955g/cm³
• LogP: 2.23130
• Storage Temp.: Refrigerator
• Solubility.: Chloroform (Slightly), Methanol (Slightly)
• XLogP3: 2.3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 4
• Exact Mass: 173.120449483
• Heavy Atom Count: 13
• Complexity: 171

Purity/Quality:

97% ^*data from raw suppliers

R-(-)-N-DemethylDeprenyl ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: CC(CC1=CC=CC=C1)NCC#C
• Isomeric SMILES: C[C@H](CC1=CC=CC=C1)NCC#C

Technology Process of n-[(2r)-1-Phenylpropan-2-yl]prop-2-yn-1-amine

There total 6 articles about n-[(2r)-1-Phenylpropan-2-yl]prop-2-yn-1-amine 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: 98.0%

C12H13N → (-)-Desmethylselegiline (56862-28-3,18913-84-3,56862-30-7)

Guidance literature:

C₁₂H₁₃N; With sodium bis(2-methoxyethoxy)aluminium dihydride; In toluene; at 80 - 85 ℃; for 5h;

With sodium hydroxide; In toluene; at 25 - 30 ℃; for 1h; Reagent/catalyst; Solvent; Temperature;

Reference yield:

(-)-Desmethylselegiline hydrochloride (115586-38-4,2588-96-7) → (-)-Desmethylselegiline (56862-28-3,18913-84-3,56862-30-7)

Guidance literature:

With sodium carbonate; In dichloromethane; water;

Reference yield:

C16H17N3O2S + mercaptoacetic acid (68-11-1) → 2-(pyrimidin-2-ylthio)acetic acid lithium salt + (-)-Desmethylselegiline (56862-28-3,18913-84-3,56862-30-7)

Guidance literature:

With lithium hydroxide monohydrate; In N,N-dimethyl-formamide; at 20 ℃; for 1h; Inert atmosphere;

DOI:10.1002/chem.201001026

upstream raw materials:

(-)-Desmethylselegiline hydrochloride

mercaptoacetic acid

L-Phenylalaninol

L-phenylalanine

Downstream raw materials:

N-[ 2-[18F]fluoroethyl]-N-[(2R)-1-phenylpropan-2-yl]prop-2-yn-1-amine

N-(2-fluoroethyl)-N-(1-phenylpropan-2-yl)prop-2-yn-1-amine

S-rivastigmine-desmethylselegiline

SELEGILINE