(R)-4-N-Trityl-2-methyl piperazine

Base Information

• Chemical Name: (R)-4-N-Trityl-2-methyl piperazine
• CAS No.: 313657-75-9
• Molecular Formula: C24H26 N2
• Molecular Weight: 342.484
• Hs Code.: 2933599090
• European Community (EC) Number: 672-561-5
• DSSTox Substance ID: DTXSID50375396
• Wikidata: Q72515575
• Mol file: 313657-75-9.mol

Synonyms:313657-75-9;(R)-4-N-Trityl-2-methyl piperazine;(R)-3-Methyl-1-tritylpiperazine;(3R)-3-methyl-1-tritylpiperazine;1-TRITYL-(R)-3-METHYLPIPERAZINE;SCHEMBL236732;DTXSID50375396;VYUQPZHRDKLOPX-HXUWFJFHSA-N;AKOS025295134;AS-39197;A5683;CS-0170839;(R)-4-N-trityl-2-methyl piperazine, AldrichCPR;(R)-3-methyl-1-tritylpiperazine;(R)-4-N-Trityl-2-Methylpiperazine;(R)-4-N-TRITYL-2-METHYL PIPERAZINE

Chemical Property of (R)-4-N-Trityl-2-methyl piperazine

Chemical Property:

• Vapor Pressure: 2.39E-08mmHg at 25°C
• Melting Point: 128°C
• Refractive Index: 1.589
• Boiling Point: 451.7°C at 760 mmHg
• PKA: 9.04±0.40(Predicted)
• Flash Point: 145.3°C
• PSA: 15.27000
• Density: 1.074g/cm³
• LogP: 4.53890
• XLogP3: 4.7
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 4
• Exact Mass: 342.209598838
• Heavy Atom Count: 26
• Complexity: 370

Purity/Quality:

99.3% ^*data from raw suppliers

(R)-4-N-Trityl-2-methylPiperazine ^*data from reagent suppliers

Safty Information:

• Pictogram(s): R36/37/38:Irritating to eyes, respiratory system and skin.
• Hazard Codes: Xn
• Statements: 36/37/38-22
• Safety Statements: 26-36

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1CN(CCN1)C(C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4
• Isomeric SMILES: C[C@@H]1CN(CCN1)C(C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4

Technology Process of (R)-4-N-Trityl-2-methyl piperazine

There total 5 articles about (R)-4-N-Trityl-2-methyl piperazine 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: 100.0%

(2R)-methylpiperazine (75336-86-6) + trityl chloride (76-83-5) → (3R)-3-Methyl-1-Tritylpiperazine (313657-75-9,625843-74-5)

Guidance literature:

With triethylamine; In dichloromethane; acetonitrile; at 20 - 30 ℃; for 1.5h;

Reference yield:

(2R)-Methylpiperazine-L-(+)-tartrate* + trityl chloride (76-83-5) → (3R)-3-Methyl-1-Tritylpiperazine (313657-75-9,625843-74-5)

Guidance literature:

With potassium hydroxide; potassium carbonate; In dichloromethane; water;

Reference yield:

(R)-2-methylpiperazine, L-tartrate (126458-16-0,126458-15-9) → (3R)-3-Methyl-1-Tritylpiperazine (313657-75-9,625843-74-5)

Guidance literature:

Multi-step reaction with 2 steps

1: sodium hydroxide / branched octane; water / 2 h / 80 °C

2: triethylamine / dichloromethane; acetonitrile / 1.5 h / 20 - 30 °C

With sodium hydroxide; triethylamine; In branched octane; dichloromethane; water; acetonitrile;

upstream raw materials:

(2R)-methylpiperazine

trityl chloride

(R)-2-methylpiperazine, L-tartrate

(RS)-2-methylpiperazine

Downstream raw materials:

(2R)-1-(3-chloro-2-pyrazinyl)-2-methylpiperazine, hydrochloride

(R)-1-(3-chloro-2-pyrazinyl)-2-methylpiperazine

(R)-1-(3-chloro-2-pyrazinyl)-2-methyl-4-tritylpiperazine

Refernces

• 1、 -. "NOVEL PROCESS". Page 26. . Retrieved 2010/02/05.
• 2、 -. "Certain aryl-aliphatic and heteroaryl-aliphatic piperazinyl pyrazines and their use in the treatment of serotonin-related diseases". . . Retrieved 2008/06/13.