4-(Oxolane-2-carbonyl)piperazin-1-ium

Base Information

• Chemical Name: 4-(Oxolane-2-carbonyl)piperazin-1-ium
• CAS No.: 63074-07-7
• Molecular Formula: C9H16N2O2
• Molecular Weight: 184.238
• Hs Code.: 29349990
• DSSTox Substance ID: DTXSID70979012
• Mol file: 63074-07-7.mol

Synonyms:DTXSID70979012;4-(Oxolane-2-carbonyl)piperazin-1-ium

Chemical Property of 4-(Oxolane-2-carbonyl)piperazin-1-ium

Chemical Property:

• Appearance/Colour: colorless to yellow viscous liquid
• Vapor Pressure: 2.85E-05mmHg at 25°C
• Refractive Index: 1.5195-1.5215
• Boiling Point: 356.8 °C at 760 mmHg
• PKA: 8.37±0.10(Predicted)
• Flash Point: 169.6 °C
• PSA: 41.57000
• Density: 1.147 g/cm³
• LogP: -0.13610
• Storage Temp.: Store below +30°C.
• Solubility.: Chloroform (Sparingly), Methanol (Slightly)
• Water Solubility.: Fully miscible in water.
• XLogP3: -0.5
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 185.129002789
• Heavy Atom Count: 13
• Complexity: 190

Purity/Quality:

99% ^*data from raw suppliers

1-?(Tetrahydro-?2-?furoyl)?-?piperazine ^*data from reagent suppliers

Safty Information:

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

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CC(OC1)C(=O)N2CC[NH2+]CC2
• Isomeric SMILES: C1C[C@H](OC1)C(=O)N2CC[NH2+]CC2
• Uses: 1-?(Tetrahydro-?2-?furoyl)?-?piperazine (Terazosin EP Impurity N) has been used as a reactant for the preparation of pyrazol-3-propanoic acid derivatives as inhibitors of leukotriene biosynthesis in human neutrophils.

Technology Process of 4-(Oxolane-2-carbonyl)piperazin-1-ium

There total 5 articles about 4-(Oxolane-2-carbonyl)piperazin-1-ium 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: 93.0%

piperazine (110-85-0) + tetrahydro-2-furancarboxylic acid (16874-33-2) → N-(tetrahydro-2-furoyl)-piperazine (63074-07-7)

Guidance literature:

With 1,1,1,3,3,3-hexamethyl-disilazane; at 110 ℃; for 8h;

DOI:10.1016/S0040-4039(99)00505-5

Reference yield: 93.0%

piperazine (110-85-0) + tetrahydro-2-furancarboxylic acid (16874-33-2) + 1,1,1,3,3,3-hexamethyl-disilazane (999-97-3) → N-(tetrahydro-2-furoyl)-piperazine (63074-07-7)

Guidance literature:

In chloroform;

Reference yield: 91.0%

piperazine (110-85-0) + methyl tetrahydrofuran-2-carboxylate (37443-42-8) → N-(tetrahydro-2-furoyl)-piperazine (63074-07-7)

Guidance literature:

at 110 ℃; for 5h;

DOI:10.1021/jo980830j

upstream raw materials:

piperazine

methyl tetrahydrofuran-2-carboxylate

tetrahydro-2-furancarboxylic acid

1,1,1,3,3,3-hexamethyl-disilazane

Downstream raw materials:

terazosin

2-[4-(2-Tetrahydrofuroyl)piperazin-1-yl]-4-amino-6-chloro-7,8-dimethoxyquinazoline

3-chloro-6-(5-(4-fluorophenyl)-3-{3-oxo-3-[4-(tetrahydrofuran-2-ylcarbonyl)piperazin-1-yl]propyl}-1H-pyrazol-1-yl)pyridazine

[4-(2-hydroxy-2-phenyl-ethyl)-piperazin-1-yl]-(tetrahydro-furan-2-yl)-methanone

Refernces

• 1、 da Silva, Joaquim Fernando Mendes,Walters, Marcus,Al-Damluji, Saad,Ganellin, C. Robin. "Molecular features of the prazosin molecule required for activation of Transport-P". . p. 7254 - 7263. Retrieved 2008/12/23.
• 2、 Bandgar,Bettigeri. "Direct synthesis of N-acylalkylenediamines from carboxylic acids under mild conditions". . p. 2917 - 2924. Retrieved 2007/10/03.