(S)-2-Isopropylpiperazine

Base Information

• Chemical Name: (S)-2-Isopropylpiperazine
• CAS No.: 133181-64-3
• Molecular Formula: C₇H₁₆N₂
• Molecular Weight: 128.217
• DSSTox Substance ID: DTXSID70567099
• Mol file: 133181-64-3.mol

Synonyms:(S)-2-ISOPROPYLPIPERAZINE;133181-64-3;(2S)-2-propan-2-ylpiperazine;(2S)-ISOPROPYLPIPERAZINE;(2S)-2-(PROPAN-2-YL)PIPERAZINE;2-(S)-Isopropyl-piperazine;SCHEMBL64698;DTXSID70567099;HBCSNWKQNPKIHK-SSDOTTSWSA-N;(2S)-2-ISOPROPYLPIPERAZINE;AKOS015841866;(S)-2-isopropylpiperazine, AldrichCPR;BS-41627;CS-0273302;W18944;EN300-2982733;A806575

Chemical Property of (S)-2-Isopropylpiperazine

Chemical Property:

• Vapor Pressure: 0.745mmHg at 25°C
• Refractive Index: 1.431
• Boiling Point: 184.1°C at 760 mmHg
• PKA: 9.21±0.40(Predicted)
• Flash Point: 64.6°C
• PSA: 24.06000
• Density: 0.851g/cm³
• LogP: 0.86140
• Storage Temp.: 2-8°C
• XLogP3: 0.5
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 128.131348519
• Heavy Atom Count: 9
• Complexity: 81

Purity/Quality:

98%min ^*data from raw suppliers

(S)-2-isopropylpiperazine ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xi

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)C1CNCCN1
• Isomeric SMILES: CC(C)[C@H]1CNCCN1

Technology Process of (S)-2-Isopropylpiperazine

There total 5 articles about (S)-2-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: 94.0%

(S)-tert-butyl 2-isopropylpiperazine-1-carboxylate (674792-05-3,886766-25-2) → (S)-2-isopropylpiperazine (84468-53-1,133181-64-3)

Guidance literature:

With hydrogenchloride; In 1,4-dioxane; methanol; ethyl acetate; at 20 ℃; for 40h;

Reference yield: 86.0%

(2S)-isopropylpiperazine-3,6-dione (16944-60-8) → (S)-2-isopropylpiperazine (84468-53-1,133181-64-3)

Guidance literature:

With lithium aluminium tetrahydride; In tetrahydrofuran; at 60 - 65 ℃; for 72h;

Reference yield:

(S)-1-benzyl-3-isopropylpiperazine (324748-62-1) → (S)-2-isopropylpiperazine (84468-53-1,133181-64-3)

Guidance literature:

palladium; In acetic acid;

upstream raw materials:

(2S)-isopropylpiperazine-3,6-dione

N-benzyloxycarbonylvalylglycine methyl ester

(S)-N-(benzyloxycarbonyl)valine

(S)-1-benzyl-3-isopropylpiperazine

Downstream raw materials:

C₂₀H₂₆N₂

(S)-1,4-di-(benzyloxycarbonyl)-2-isopropylpiperazine

Refernces

• 1、 Harrison, Bryce A.,Whitlock, N. Andrew,Voronkov, Michael V.,Almstead, Zheng Y.,Gu, Kun-Jian,Mabon, Ross,Gardyan, Michael,Hamman, Brian D.,Allen, Jason,Gopinathan, Suma,McKnight, Beth,Crist, Mike,Zhang, Yulian,Liu, Ying,Courtney, Lawrence F.,Key, Billie,Zhou, Julia,Patel, Nita,Yates, Phil W.,Liu, Qingyun,Wilson, Alan G. E.,Kimball, S. David,Crosson, Craig E.,Rice, Dennis S.,Rawlins, David B.. "Novel class of LIM-kinase 2 inhibitors for the treatment of ocular hypertension and associated glaucoma". supporting information; experimental part. p. 6515 - 6518. Retrieved 2010/03/31.
• 2、 -. "17BETA-HYDROXYSTEROID DEHYDROGENASE TYPE 3 INHIBITORS FOR THE TREATMENT OF ANDROGEN DEPENDENT DISEASES". Page 26-27. . Retrieved 2008/06/13.