1,4-Piperazinediethanol

Base Information

• Chemical Name: 1,4-Piperazinediethanol
• CAS No.: 122-96-3
• Molecular Formula: C8H18N2O2
• Molecular Weight: 174.243
• European Community (EC) Number: 204-586-0
• NSC Number: 36645,31268,26892
• UNII: EQ349PKX8Y
• DSSTox Substance ID: DTXSID3029158
• Nikkaji Number: J1.038.075H,J20E
• Wikidata: Q27277296
• ChEMBL ID: CHEMBL118235
• Mol file: 122-96-3.mol

Synonyms:122-96-3;1,4-Piperazinediethanol;2,2'-(Piperazine-1,4-diyl)diethanol;1,4-Bis(2-hydroxyethyl)piperazine;1,4-Di(2-hydroxyethyl)piperazine;N,N'-Dihydroxyethylpiperazine;N,N'-Bis(2-hydroxyethyl)piperazine;2-[4-(2-hydroxyethyl)piperazin-1-yl]ethanol;N,N'-Di(2-hydroxyethyl)piperazine;NSC 26892;Piperazine, N,N'-bis(2-hydroxyethyl)-;NSC 36645;EINECS 204-586-0;NSC 31268;Piperazine-1,4-diethanol;1,4-Bis(beta-hydroxyethyl)piperazine;N,N'-Bis(beta-hydroxyethyl)piperazine;UNII-EQ349PKX8Y;BRN 0108245;EQ349PKX8Y;1,4-Bis(.beta.-hydroxyethyl)piperazine;AI3-03876;DTXSID3029158;2,2'-piperazine-1,4-diyldiethanol;NSC-26892;NSC-31268;NSC-36645;N,N'-Bis(.beta.-hydroxyethyl)piperazine;2-[4-(2-Hydroxy-ethyl)-piperazin-1-yl]-ethanol;2-[4-(2-hydroxyethyl)piperazin-1-yl]ethan-1-ol;WLN: T6N DNTJ A2Q D2Q;Piperazine,N'-bis(2-hydroxyethyl)-;di(N-Hydroxyethyl)piperazine;Oprea1_826804;CBDivE_015046;SCHEMBL154974;CHEMBL118235;DTXCID809158;Piperazine-1alpha,4beta-diethanol;AMY40594;NSC26892;NSC31268;NSC36645;Tox21_200471;MFCD00006157;STK500093;AKOS003591075;CS-W017493;DS-1913;N,N'-bis (2-hydroxyethyl) piperazine;N,N'-bis-(2-hydroxyethyl)-piperazine;NCGC00248642-01;NCGC00258025-01;AC-24659;CAS-122-96-3;1,4-Bis(2-hydroxyethyl)piperazine, 98%;1,4-Bis(2-hydroxyethyl)piperazine, 99%;LS-111516;B4903;FT-0631710;EN300-7394810;W-109457;Q27277296;DVQ

Chemical Property of 1,4-Piperazinediethanol

Chemical Property:

• Appearance/Colour: white crystalline powder
• Vapor Pressure: 0.004Pa at 20℃
• Melting Point: 133.5-136 °C(lit.)
• Refractive Index: 1.4540 (estimate)
• Boiling Point: 305.7 °C at 760 mmHg
• PKA: 14.66±0.10(Predicted)
• Flash Point: 166.2 °C
• PSA: 46.94000
• Density: 1.097 g/cm³
• LogP: -1.53560
• Storage Temp.: Sealed in dry,Room Temperature
• Water Solubility.: Soluble in water.
• XLogP3: -1.3
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 4
• Exact Mass: 174.136827821
• Heavy Atom Count: 12
• Complexity: 99.6

Purity/Quality:

99% ^*data from raw suppliers

1,4-Piperazinediethanol ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 37/39-26

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Chemical Classes: Nitrogen Compounds -> Piperazines
• Canonical SMILES: C1CN(CCN1CCO)CCO
• Uses: 1,4-Piperazinediethanol is useful in the synthesis of salt-inducible kinase inhibitors for the treatment of diseases.

Technology Process of 1,4-Piperazinediethanol

There total 21 articles about 1,4-Piperazinediethanol 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: 86.2%

piperazine (110-85-0) + 2-bromoethanol (540-51-2) → 1-(2-hydroxyethyl)piperazine (103-76-4) + 1,4-bis(2-hydroxyethyl)piperazine (122-96-3)

Guidance literature:

With hydrogenchloride; In methanol; water; for 2.5h; pH=8.5; pH-value; Reagent/catalyst; Inert atmosphere;

Reference yield: 79.0%

2,2'-iminobis[ethanol] (111-42-2) → 1,4-bis(2-hydroxyethyl)piperazine (122-96-3)

Guidance literature:

With hydrogen; at 180 - 200 ℃; for 10h; under 60006 Torr; Product distribution / selectivity; Autoclave; Inert atmosphere;

Reference yield: 45.0%

1-(2-hydroxyethyl)piperazine (103-76-4) + 2-bromoethanol (540-51-2) → 1,4-bis(2-hydroxyethyl)piperazine (122-96-3)

Guidance literature:

With potassium carbonate; sodium iodide; In acetonitrile; for 18h; Reflux; Inert atmosphere;

DOI:10.1021/acsmedchemlett.9b00654

upstream raw materials:

oxirane

piperazine

2-chloro-ethanol

phenylacetonitrile

Downstream raw materials:

2-[4-(2-{4-[(4-methoxy-phenyl)-methyl-amino]-quinazolin-2-yloxy}-ethyl)-piperazin-1-yl]-ethanol

piperazine

1-methyl-piperazine

1,4-BIS-[2-(ACETYLSALICYLOYLOXY)ETHYL] PIPERAZINE

Refernces

• 1、 Naito,Yamamoto. "Stability, absorption, excretion, and distribution of nafiverine". . p. 253 - 258. Retrieved 1975.
• 2、 Tomassi, Stefano,Pfahler, Julian,Mautone, Nicola,Rovere, Annarita,Esposito, Chiara,Passeri, Daniela,Pellicciari, Roberto,Novellino, Ettore,Pannek, Martin,Steegborn, Clemens,Paiardini, Alessandro,Mai, Antonello,Rotili, Dante. "From PARP1 to TNKS2 inhibition: A structure-based approach". supporting information. p. 862 - 868. Retrieved 2020/06/30.
• 3、 -. "Method for producing N-alkylpiperazine". Paragraph 0056; 0062; 0065. . Retrieved 2017/02/09.