1-Benzyl-3,5-dimethylpiperazine

Base Information

• Chemical Name: 1-Benzyl-3,5-dimethylpiperazine
• CAS No.: 3138-89-4
• Molecular Formula: C13H20N2
• Molecular Weight: 204.31
• DSSTox Substance ID: DTXSID601278985
• Mol file: 3138-89-4.mol

Synonyms:1-benzyl-3,5-dimethylpiperazine;3138-89-4;1-Benzyl-3,5-dimethyl-piperazine;(3R, 5R)-1-Benzyl-3,5-dimethyl-piperazine;(3S, 5S)-1-Benzyl-3,5-dimethyl-piperazine;SCHEMBL3522693;DTXSID601278985;Piperazine, 3,5-dimethyl-1-(phenylmethyl)-, (3R,5R)- (or Piperazine, 3,5-dimethyl-1-(phenylmethyl)-, (3R-trans)-);AKOS013175767;SB34070;SB34199;SB36532;SB37630;3,5-Dimethyl-1-(phenylmethyl)piperazine;CS-0450900

Chemical Property of 1-Benzyl-3,5-dimethylpiperazine

Chemical Property:

• Boiling Point: 70 °C (0.1 mmHg)
• PSA: 15.27000
• LogP: 2.13550
• XLogP3: 2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 204.162648646
• Heavy Atom Count: 15
• Complexity: 177

Purity/Quality:

97% ^*data from raw suppliers

1-Benzyl-3,5-dimethyl-piperazine 96% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1CN(CC(N1)C)CC2=CC=CC=C2

Technology Process of 1-Benzyl-3,5-dimethylpiperazine

There total 2 articles about 1-Benzyl-3,5-dimethylpiperazine 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:

benzyl chloride (100-44-7) + 3,5-dimethylpiperazine (108-49-6) → (R,R)1-Benzyl-3,5-dimethylpiperazine (3138-89-4)

Guidance literature:

With triethylamine; In toluene; Heating;

DOI:10.1016/S0223-5234(01)01246-6

Reference yield:

→ (R,R)1-Benzyl-3,5-dimethylpiperazine (3138-89-4)

Guidance literature:

1-Benzyl-2,5-dimethyl-pyraziniumbromid, NaBH4, W.;

DOI:10.1021/jo01017a046

Reference yield: 10.0%

4-nitro-benzoyl chloride (122-04-3) + (R,R)1-Benzyl-3,5-dimethylpiperazine (3138-89-4) → (4-benzyl-2,6-dimethyl-piperazin-1-yl)-(4-nitro-phenyl)-methanone

Guidance literature:

With triethylamine; In toluene; Heating;

DOI:10.1016/S0223-5234(01)01246-6

upstream raw materials:

benzyl chloride

3,5-dimethylpiperazine