4-Benzylpiperazin-1-amine

Base Information

• Chemical Name: 4-Benzylpiperazin-1-amine
• CAS No.: 39139-52-1
• Molecular Formula: C11H17N3
• Molecular Weight: 191.276
• Hs Code.: 2933599090
• European Community (EC) Number: 855-040-9
• DSSTox Substance ID: DTXSID60480081
• Wikidata: Q82314592
• Mol file: 39139-52-1.mol

Synonyms:4-benzylpiperazin-1-amine;39139-52-1;1-AMINO-4-BENZYLPIPERAZINE;1-Piperazinamine,4-(phenylmethyl)-(9ci);MFCD02271425;4-Benzyl-piperazin-1-ylamine;4-Benzyl-1-piperazinamine;4-benzylpiperazin-1-yl-amine;SCHEMBL223097;DTXSID60480081;SJMJMGVFFRSXOG-UHFFFAOYSA-N;4-(PhenylMethyl)-1-piperazinaMine;BCP15858;AKOS000268733;CS-W001558;SY246996;FT-0661608;EN300-261489;S10927;J-504190

Chemical Property of 4-Benzylpiperazin-1-amine

Chemical Property:

• Appearance/Colour: White crystalline solid
• Vapor Pressure: 0.001mmHg at 25°C
• Refractive Index: 1.583
• Boiling Point: 300.411 °C at 760 mmHg
• Flash Point: 133.709 °C
• PSA: 32.50000
• Density: 1.096 g/cm³
• LogP: 1.25400
• Storage Temp.: Freezer under Argon
• XLogP3: 1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 191.142247555
• Heavy Atom Count: 14
• Complexity: 158

Purity/Quality:

NLT 98% ^*data from raw suppliers

1-Amino-4-benzylpiperazine ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: C1CN(CCN1CC2=CC=CC=C2)N

Technology Process of 4-Benzylpiperazin-1-amine

There total 5 articles about 4-Benzylpiperazin-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: 87.2%

1-benzyl-4-nitroso-4-piperizine (40675-45-4) → 4-benzylpiperazin-1-amine (39139-52-1)

Guidance literature:

With lithium aluminium tetrahydride; In tetrahydrofuran; for 3h; Reflux;

DOI:10.1002/jlcr.1776

Reference yield:

benzyl bromide (100-39-0) → 4-benzylpiperazin-1-amine (39139-52-1)

Guidance literature:

Multi-step reaction with 2 steps

1: Et₃N / acetonitrile / 3 h / Heating

2: 33 percent / Zn; aq. HCl / methanol / 2 h / Heating

With hydrogenchloride; triethylamine; zinc; In methanol; acetonitrile;

DOI:10.1021/jm050498l

Reference yield:

(4-benzylpiperazin-1-yl)-(3,5-dimethyl-1-phenyl-1H-pyrazol-4-ylmethylene)amine (304909-07-7) → 4-benzylpiperazin-1-amine (39139-52-1)

Guidance literature:

Multi-step reaction with 2 steps

1: tritium; Crabtree's catalyst / dichloromethane / 20 °C

2: methanol / 15 h / 0 °C

With tritium; Crabtree's catalyst; In methanol; dichloromethane;

DOI:10.1002/jlcr.1776

upstream raw materials:

1-benzyl-4-nitroso-4-piperizine

benzyl bromide

(4-benzylpiperazin-1-yl)-(3,5-dimethyl-1-phenyl-1H-pyrazol-4-ylmethylene)amine

Downstream raw materials:

piperonal-(4-benzyl-piperazinoimine)

4-dimethylamino-benzaldehyde-(4-benzyl-piperazinoimine)

1-(4-methoxy-phenyl)-ethanone-(4-benzyl-piperazinoimine)

C₄₉H₆₂N₄O₁₂