1-Benzyl-2-methylpiperazine

Base Information

• Chemical Name: 1-Benzyl-2-methylpiperazine
• CAS No.: 29906-54-5
• Molecular Formula: C12H18 N2
• Molecular Weight: 190.288
• Hs Code.: 2933599090
• European Community (EC) Number: 837-758-4
• DSSTox Substance ID: DTXSID10439943
• Mol file: 29906-54-5.mol

Synonyms:1-Benzyl-2-methylpiperazine;29906-54-5;N-1-Benzyl-2-methylpiperazine;1-benzyl-2-methyl-piperazine;N-1-Benzyl-2-methyl-piperazine;MFCD07367737;Piperazine, 2-methyl-1-(phenylmethyl)-;Methylbenzylpiperazin;SCHEMBL104187;DTXSID10439943;JGEODYUVEMNPPY-UHFFFAOYSA-N;rac 1-Benzyl-2-methyl-piperazine;BBL100803;STL554597;AKOS005255352;AB91422;AS-59205;PD076170;CS-0061423;FT-0647051;FT-0689919;FT-0689920;A26335;EN300-253816;W17554

Chemical Property of 1-Benzyl-2-methylpiperazine

Chemical Property:

• Vapor Pressure: 0.00354mmHg at 25°C
• Boiling Point: 281.5°C at 760 mmHg
• Flash Point: 112.3°C
• PSA: 15.27000
• Density: 0.991g/cm3
• LogP: 1.74700
• XLogP3: 1.5
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 190.146998583
• Heavy Atom Count: 14
• Complexity: 164

Purity/Quality:

98%min ^*data from raw suppliers

1-Benzyl-2-methylpiperazine ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1CNCCN1CC2=CC=CC=C2

Technology Process of 1-Benzyl-2-methylpiperazine

There total 6 articles about 1-Benzyl-2-methylpiperazine 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: 94.5%

(RS)-2-methylpiperazine (109-07-9) + benzyl chloroformate (501-53-1,94274-21-2) → 2-methylpiperazine-1,4-dicarboxylic acid dibenzyl ester (1047975-20-1) + 1-benzyl-4-benzyloxycarbonyl-2-methylpiperazine + benzyl 3-methylpiperazine-1-carboxylate (84477-85-0) + 1-benzyl-2-methylpiperazine (29906-54-5) + benzyl alcohol (100-51-6,185532-71-2)

Guidance literature:

(RS)-2-methylpiperazine; benzyl chloroformate; In butan-1-ol; at 0 - 20 ℃; for 14h;

With sodium hydroxide; In water; toluene; pH=11.2;

With hydrogenchloride; sodium hydroxide; more than 3 stages; Product distribution / selectivity;

Reference yield: 70.0%

1-benzyl-2-methylpiperazin-3-one (29906-47-6) → 1-benzyl-2-methylpiperazine (29906-54-5)

Guidance literature:

With lithium aluminium tetrahydride; In tetrahydrofuran; for 72h; Heating;

Reference yield:

(S)-2-methylpiperazine (74879-18-8) + benzyl chloroformate (501-53-1,94274-21-2) → 2-methylpiperazine-1,4-dicarboxylic acid dibenzyl ester (1047975-20-1) + 1-benzyl-4-benzyloxycarbonyl-2-methylpiperazine + benzyl 3-methylpiperazine-1-carboxylate (84477-85-0) + 1-benzyl-2-methylpiperazine (29906-54-5) + benzyl alcohol (100-51-6,185532-71-2)

Guidance literature:

(S)-2-methylpiperazine; benzyl chloroformate; In butan-1-ol; at 0 - 8 ℃; for 2h;

With hydrogenchloride; In water; toluene; at 0 ℃; for 0.5h; pH=1.0;

With sodium hydroxide; In water; toluene; at 60 - 170 ℃; for 0.5h; pH=11.8; Product distribution / selectivity;

upstream raw materials:

1-benzyl-2-methylpiperazin-3-one

3-methylpiperazin-2-one

benzyl chloride

(S)-2-methylpiperazine

Downstream raw materials:

1,2-dimethylpiperazine

3-methylpiperazine-1-carboxylic acid ethyl ester

3,4-dimethyl-piperazine-1-carboxylic acid ethyl ester

3-Methyl-piperazine-1-carboxylic acid dimethylamide

Refernces

• 1、 Charles, Elisabeth S.,Sharma, Satyavan. "Studies in Potential Filaricides: Part 20 - Synthesis of 1,4-Disubstituted Piperazines as Diethylcarbamazine Analogs". . p. 752 - 756. Retrieved 2007/10/02.