1-Allylpiperazine

Base Information

• Chemical Name: 1-Allylpiperazine
• CAS No.: 13961-36-9
• Molecular Formula: C7H14N2
• Molecular Weight: 126.202
• Hs Code.: 29339900
• European Community (EC) Number: 625-179-8
• DSSTox Substance ID: DTXSID40355566
• Nikkaji Number: J2.319.268C
• Wikidata: Q82134547
• Mol file: 13961-36-9.mol

Synonyms:1-Allylpiperazine;13961-36-9;1-Allyl-piperazine;1-prop-2-enylpiperazine;1-(prop-2-en-1-yl)piperazine;MFCD00167970;1-allyl piperazine;Piperazine,1-(2-propen-1-yl)-;allylpiperazine;1-allylpiperazin;N-allylpiperazine;1-Allylpiperazine, 96%;1-(2-propenyl)piperazine;SCHEMBL169700;SCHEMBL13123552;DTXSID40355566;ZWAQJGHGPPDZSF-UHFFFAOYSA-N;Piperazine, 1-(2-propen-1-yl)-;STK488080;AKOS000194343;PS-5839;A3172;CS-0132248;FT-0607308;A807569;J-007297;F1929-1671

Chemical Property of 1-Allylpiperazine

Chemical Property:

• Appearance/Colour: Clear light yellow liquid
• Vapor Pressure: 0.997mmHg at 25°C
• Refractive Index: n20/D 1.4830(lit.)
• Boiling Point: 178.291 °C at 760 mmHg
• PKA: 9.20±0.10(Predicted)
• Flash Point: 65.37 °C
• PSA: 15.27000
• Density: 0.884 g/cm³
• LogP: 0.34430
• Sensitive.: Air Sensitive
• XLogP3: 0.3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 126.115698455
• Heavy Atom Count: 9
• Complexity: 84.9

Purity/Quality:

97% ^*data from raw suppliers

1-Allylpiperazine ^*data from reagent suppliers

Safty Information:

• Pictogram(s): C,Xi
• Hazard Codes: C,Xi
• Statements: 10-34
• Safety Statements: 26-36/37/39-45

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C=CCN1CCNCC1

Technology Process of 1-Allylpiperazine

There total 6 articles about 1-Allylpiperazine 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%

piperazine (110-85-0) + 3-chloroprop-1-ene (107-05-1) → 1-allylpiperazine (13961-36-9)

Guidance literature:

H-Maghnite clay; at 20 ℃; for 0.5h;

DOI:10.1070/MC2005v015n03ABEH002046

Reference yield:

piperazine (110-85-0) + allyl bromide (106-95-6) → 1-allylpiperazine (13961-36-9)

Guidance literature:

With triethylamine; In dichloromethane; chloroform; at 20 ℃; for 3h;

Reference yield:

(4-allyl-piperazin-1-yl)-phenyl-methanone (586960-71-6) → 1-allylpiperazine (13961-36-9)

Guidance literature:

With hydrogenchloride; Heating;

DOI:10.1016/S0960-894X(03)00177-X

upstream raw materials:

(4-allyl-piperazin-1-yl)-phenyl-methanone

piperazine

3-chloroprop-1-ene

allyl bromide

Downstream raw materials:

N-Phenyl-1-(4-allyl-1-piperazine)carbothioamide

1-allyl-4-propylpiperazine

3-(4-Allyl-piperazine-1-carbonyl)-4-methoxy-benzenesulfonamide

1-(4-allyl-1-piperazinyl)-2-propanone