3-(Piperazin-1-yl)propanenitrile

Base Information

• Chemical Name: 3-(Piperazin-1-yl)propanenitrile
• CAS No.: 34064-86-3
• Molecular Formula: C7H13N3
• Molecular Weight: 139.2
• Hs Code.: 2933599090
• European Community (EC) Number: 626-445-6
• DSSTox Substance ID: DTXSID70366009
• Nikkaji Number: J29.039D
• Wikidata: Q72500205
• ChEMBL ID: CHEMBL230038
• Mol file: 34064-86-3.mol

Synonyms:3-(piperazin-1-yl)propanenitrile;34064-86-3;3-piperazin-1-ylpropanenitrile;3-(1-piperazino)propionitrile;1-(2-Cyanoethyl)piperazine;3-Piperazin-1-yl-propionitrile;3-(1-Piperazinyl)-Propionitril;MFCD02093566;3-Piperazinopropionitrile;3-(1-Piperazinyl)propionitrile;1-piperazinepropionitrile;1-Piperazinepropanenitrile;MLS000528313;3-(1-piperazinyl)propanenitrile;2-piperazinoethyl cyanide;CHEMBL230038;SCHEMBL1704847;Piperazine, N-(2-cyanoethyl)-;3-(1-piperazinyl) propionitrile;DTXSID70366009;3-(piperazine-1-yl)propanenitrile;HMS1704K12;HMS2163P20;HMS3319H20;CS1176;STK500386;3-Piperazinopropionitrile, >=96.0%;AKOS000280517;NS-01079;SMR000120888;CS-0106299;FT-0678819;EN300-40048;A822059;J-510933;F1929-1683

Chemical Property of 3-(Piperazin-1-yl)propanenitrile

Chemical Property:

• Vapor Pressure: 0.003mmHg at 25°C
• Refractive Index: n20/D 1.493
• Boiling Point: 283.178 °C at 760 mmHg
• Flash Point: 125.062 °C
• PSA: 39.06000
• Density: 0.987 g/cm³
• LogP: 0.07198
• XLogP3: -0.7
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 139.110947427
• Heavy Atom Count: 10
• Complexity: 129

Purity/Quality:

98%,99%, ^*data from raw suppliers

3-(Piperazin-1-yl)propanenitrile ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi,Xn
• Hazard Codes: Xn,Xi
• Statements: 20/21/22-36/37/38
• Safety Statements: 26-36

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: C1CN(CCN1)CCC#N

Technology Process of 3-(Piperazin-1-yl)propanenitrile

There total 3 articles about 3-(Piperazin-1-yl)propanenitrile 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: 99.0%

piperazine (110-85-0) + acrylonitrile (107-13-1,25014-41-9) → 3-piperazin-1-yl-propionitrile (34064-86-3)

Guidance literature:

With triethylammonium acetate; at 25 ℃; for 0.0166667h; chemoselective reaction;

DOI:10.1007/s00706-008-0886-4

Reference yield: 80.0%

piperazine (110-85-0) + acrylonitrile (107-13-1,25014-41-9) → 3-[4-(2-cyanoethyl)-piperazine-1-yl]-propionitrile (4159-11-9) + 3-piperazin-1-yl-propionitrile (34064-86-3)

Guidance literature:

With ammonium cerium(IV) nitrate; In water; at 20 ℃; for 0.333333h;

DOI:10.1055/s-2006-941588

Reference yield:

→ 3-piperazin-1-yl-propionitrile (34064-86-3)

Guidance literature:

Piperazin-hexahydrat, Acrylsaeure-nitril b. 50grad;

DOI:10.1007/BF00909951

upstream raw materials:

piperazine

acrylonitrile

Downstream raw materials:

3-[4-({2-[4-(trifluoromethyl)phenyl]-3H-imidazo[4,5-b]pyridin-7-yl}sulfonyl)piperazin-1-yl]propanenitrile

C₂₂H₂₄ClN₉OS

3-{6-[4-(2-cyano-ethyl)-piperazin-1-yl]-[1,7]naphthyridin-8-yl}-benzonitrile

3-[4-(3-diphenylaminopropyl)piperazin-1-yl]propylamine

Refernces

• 1、 -. "2-PHENYLIMIDAZO[4,5-B]PYRIDIN-7-AMINE DERIVATES USEFUL AS INHIBITORS OF MAMMALIAN TYROSINE KINASE ROR1 ACTIVITY". Page/Page column 89-90; 91-92; 120. . Retrieved 2018/03/26.
• 2、 Verma, Akhilesh K.,Attri, Pankaj,Chopra, Varun,Tiwari, Rakesh K.,Chandra, Ramesh. "Triethylammonium acetate (TEAA): A recyclable inexpensive ionic liquid promotes the chemoselective aza- and thia-Michael reactions". experimental part. p. 1041 - 1047. Retrieved 2009/11/30.