1-Isopropylpiperazine

Base Information

• Chemical Name: 1-Isopropylpiperazine
• CAS No.: 4318-42-7
• Molecular Formula: C7H16N2
• Molecular Weight: 128.217
• Hs Code.: 29339900
• European Community (EC) Number: 224-345-3
• DSSTox Substance ID: DTXSID40195762
• Nikkaji Number: J35.450C
• Wikidata: Q72486198
• ChEMBL ID: CHEMBL1740581
• Mol file: 4318-42-7.mol

Synonyms:1-Isopropylpiperazine;4318-42-7;N-Isopropylpiperazine;1-(propan-2-yl)piperazine;137186-14-2;1-propan-2-ylpiperazine;1-Isopropyl-piperazine;Isopropyl piperazine;Piperazine, 1-isopropyl-;n-isopropyl piperazine;Piperazine, 1-(1-methylethyl)-;1-(1-Methylethyl)piperazine;(1-Isopropyl)piperazine;BRN 0103377;EINECS 224-345-3;MFCD00167971;isopropylpiperazine;5-23-01-00142 (Beilstein Handbook Reference);1-(2-propyl)-piperazine;isopropylpiperizine;iso-propylpiperazine;isopropyl-piperazine;1-isopropylpiperazin;1-isopropylpiperzine;4-isopropylpiperazine;Cbz-DL-Met-OH;N-isopropyl-piperazine;1-isopropyl piperazine;4-isopropyl piperazine;4-Isopropyl-piperazine;BAS 04444044;N-(2-propyl)piperazine;1-(2-propyl)piperazine;1-(isopropyl)-piperazine;SCHEMBL5387;1-(2-propyl-)-piperazine;1-Isopropylpiperazine, 97%;4-(1-Methylethyl)piperazine;CHEMBL1740581;DTXSID40195762;HMS1676H15;STK488099;AKOS000145445;CS-W013460;PS-5840;SB11217;NCGC00245384-01;BP-10533;LS-112732;AM20080275;BB 0219948;FT-0649638;FT-0688075;I0745;EN300-31689;P10089;A826202;J-502422;W-106241;F1929-1669;Z228588846

Chemical Property of 1-Isopropylpiperazine

Chemical Property:

• Appearance/Colour: Clear pale yellow liquid
• Vapor Pressure: 1.37mmHg at 25°C
• Refractive Index: n20/D 1.4710(lit.)
• Boiling Point: 171.8 °C at 760 mmHg
• PKA: 9.23±0.10(Predicted)
• Flash Point: 56.4 °C
• PSA: 15.27000
• Density: 0.88 g/cm³
• LogP: 0.56670
• Storage Temp.: Flammables area
• Water Solubility.: Slightly soluble in water.
• XLogP3: 0.4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 128.131348519
• Heavy Atom Count: 9
• Complexity: 75

Purity/Quality:

97% ^*data from raw suppliers

1-Isopropylpiperazine ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xn, F, C, Xi
• Hazard Codes: Xn,F,C,Xi
• Statements: 10-21-36/37/38
• Safety Statements: 16-26-36

MSDS Files:

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: CC(C)N1CCNCC1
• Uses: 1-Isopropylpiperazine is used as pharmaceutical intermediate.

Technology Process of 1-Isopropylpiperazine

There total 12 articles about 1-Isopropylpiperazine 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: 90.0%

ethyl 4-(1-methylethyl)piperazine-1-carboxylate (61014-91-3) → 1-(1-methylethyl)piperazine (4318-42-7)

Guidance literature:

With hydrogen bromide; for 3h; Heating;

DOI:10.1021/jm981098j

Reference yield: 66.4%

→ 1-(1-methylethyl)piperazine (4318-42-7)

Guidance literature:

Reference yield: 57.0%

piperazine (110-85-0) → 1-(1-methylethyl)piperazine (4318-42-7)

Guidance literature:

With conc. HX; In ethanol; Heating;

DOI:10.1016/0223-5234(96)85875-2

upstream raw materials:

piperazine

isopropyl bromide

ethyl 4-(1-methylethyl)piperazine-1-carboxylate

isopropylamine

Downstream raw materials:

2-(4-isopropyl-piperazino)-1-phenyl-ethanone

1-benzhydryl-4-isopropyl-piperazine

10-[3-(4-isopropyl-piperazin-1-yl)-propyl]-10H-phenothiazine

1-(7-fluoro-2-isopropyl-10,11-dihydrodibenzothiepin-11-yl)-4-isopropylpiperazine