3-(Piperazin-1-Yl)Propan-1-Ol

Base Information

• Chemical Name: 3-(Piperazin-1-Yl)Propan-1-Ol
• CAS No.: 5317-32-8
• Molecular Formula: C7H16 N2 O
• Molecular Weight: 144.217
• Hs Code.: 2933599090
• European Community (EC) Number: 226-176-0
• DSSTox Substance ID: DTXSID20201234
• Nikkaji Number: J265.542J
• Wikidata: Q72500082
• ChEMBL ID: CHEMBL4552088
• Mol file: 5317-32-8.mol

Synonyms:5317-32-8;3-(Piperazin-1-Yl)Propan-1-Ol;1-Piperazinepropanol;1-(3-HYDROXYPROPYL)PIPERAZINE;1-(3-Hydroxypropyl)-piperazine;3-piperazin-1-ylpropan-1-ol;Piperazin-1-ylpropanol;EINECS 226-176-0;MFCD00023132;3-(1-piperazinyl)-1-propanol;1-(3-Hydroxypropyl)-4-piperazine;Hydroxypropyl-piperazin;piperazin-1-ylpropan-ol;1-Piperazine-1-propanol;1-Piperazinepropanol, 97%;SCHEMBL12003;3-piperazin-1-yl-propan-1-ol;1-(3-hydroxypropyl) piperazine;CHEMBL4552088;3-Ppiperazin-1-yl)propan-1-ol;DTXSID20201234;AKOS002682744;FS-5264;AC-17164;AM804006;FT-0635612;EN300-145604;A829425

Chemical Property of 3-(Piperazin-1-Yl)Propan-1-Ol

Chemical Property:

• Appearance/Colour: white.
• Vapor Pressure: 0.012mmHg at 25°C
• Melting Point: 49-53 °C(lit.)
• Boiling Point: 263.5 °C at 760 mmHg
• PKA: 15.10±0.10(Predicted)
• Flash Point: 110 ºC
• PSA: 35.50000
• Density: 0.993 g/cm³
• LogP: -0.45930
• Storage Temp.: Keep in dark place,Inert atmosphere,Room temperature
• XLogP3: -0.7
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 144.126263138
• Heavy Atom Count: 10
• Complexity: 81.7

Purity/Quality:

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

1-(3-Hydroxypropyl)piperazine ^*data from reagent suppliers

Safty Information:

• Safety Statements: 22-24/25

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CN(CCN1)CCCO
• Uses: Reactant for preparation of biologically active molecules:Preparation of chloropyridazine piperazines as human rhinovirus (HRV-3) inhibitorsSynthesis of arylbenzoylpyrrolidine derivatives and their Hsp90 inhibitory activitySynthesis of pyrrolothienopyrazines as novel serotonin-4 receptors antagonistsPreparation of carbamate-functionalized 2,6-disubstituted N-(arylsulfonyl) piperidines as conformationally restricted and orally active γ-secretase inhibitors

Technology Process of 3-(Piperazin-1-Yl)Propan-1-Ol

There total 15 articles about 3-(Piperazin-1-Yl)Propan-1-Ol 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: 80.7%

4-(3-hydroxypropyl)piperazinylcarboxylic acid ethyl ester (7483-27-4) → 3-(1-piperazinyl)-1-propanol (5317-32-8)

Guidance literature:

With sodium hydroxide; In ethanol; water; Reflux;

Reference yield: 72.0%

piperazine (110-85-0) + 1-chloro-3-hydroxypropane (627-30-5) → 3-(1-piperazinyl)-1-propanol (5317-32-8)

Guidance literature:

In ethanol;

DOI:10.1055/s-2002-34879

Reference yield: 67.9%

piperazine (110-85-0) + 1-chloro-3-hydroxypropane (627-30-5) → 3-(1-piperazinyl)-1-propanol (5317-32-8) + 3,3'-(piperazine-1,4-diyl)bis(propan-1-ol) (28765-60-8)

Guidance literature:

With hydrogenchloride; In methanol; water; for 8.5h; Inert atmosphere;

upstream raw materials:

piperazine

allyl alcohol

1-chloro-3-hydroxypropane

N,N'-bis-allylpiperazine

Downstream raw materials:

3-(4-methyl-1-piperazinyl)-1-propanol

4-[4-(3-Hydroxy-propyl)-piperazin-1-yl]-6-(4-methoxy-phenyl)-2-oxo-2H-pyran-3-carbonitrile

3-(4-(3-(2-biphenylyloxy)propyl)-1-piperazinyl)propanol

3-(4-(2-(2-biphenylyloxy)ethyl)-1-piperazinyl)propanol

Refernces

• 1、 -. "Method for producing N-alkylpiperazine". Paragraph 0057. . Retrieved 2017/02/09.
• 2、 Kuder, Kamil J.,Stachnik, Marta,Schunack, Walter,Szymańska, Ewa,Kie?-Kononowicz, Katarzyna. "Discovery of novel lead in the group of N-substituted piperazine ether derivatives with potential histamine H3 receptor activity". . p. 588 - 599. Retrieved 2014/11/07.