1-(2-Hydroxyethyl)-4-piperidone ethylene ketal

Base Information

• Chemical Name: 1-(2-Hydroxyethyl)-4-piperidone ethylene ketal
• CAS No.: 37443-73-5
• Molecular Formula: C9H17 N O3
• Molecular Weight: 187.24
• Hs Code.: 2934999090
• European Community (EC) Number: 624-187-9
• DSSTox Substance ID: DTXSID30584686
• Wikidata: Q82476374
• Mol file: 37443-73-5.mol

Synonyms:37443-73-5;1-(2-Hydroxyethyl)-4-piperidone ethylene ketal;2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)ethanol;1,4-Dioxa-8-azaspiro[4.5]decane-8-ethanol;2-(1,4-Dioxa-8-azaspiro[4.5]decan-8-yl)ethan-1-ol;2-(4,4-Ethylenedioxypiperidino)ethenol;SCHEMBL5353092;DTXSID30584686;PXTUQQILCNMBLU-UHFFFAOYSA-N;MFCD07784370;AKOS017390810;1-(2-HYDROXYETHYL)-4-PIPERIDONE ETHYLEN&;N-hydroxyethyl-1,4-dioxa-8-azaspiro[4.5]-decane;A1-05020;1-(2-Hydroxyethyl)-4-piperidone ethylene ketal, 97%

Chemical Property of 1-(2-Hydroxyethyl)-4-piperidone ethylene ketal

Chemical Property:

• Vapor Pressure: 4.88E-05mmHg at 25°C
• Refractive Index: n20/D 1.494
• Boiling Point: 75-78 °C15 mm Hg
• Flash Point: >230 °F
• PSA: 41.93000
• Density: 1.135 g/mL at 25 °C
• LogP: -0.24450
• XLogP3: -0.5
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 187.12084340
• Heavy Atom Count: 13
• Complexity: 158

Purity/Quality:

99%min ^*data from raw suppliers

1-(2-Hydroxyethyl)-4-piperidone ethylene ketal 97% ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xi
• Statements: 41
• Safety Statements: 26-39

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CN(CCC12OCCO2)CCO

Technology Process of 1-(2-Hydroxyethyl)-4-piperidone ethylene ketal

There total 3 articles about 1-(2-Hydroxyethyl)-4-piperidone ethylene ketal 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: 71.0%

4,4-ethylenedioxy-piperidine (177-11-7) + 2-bromoethanol (540-51-2) → 8-(2-hydroxyethyl)-1,4-dioxa-8-azaspiro[4,5]decane (37443-73-5)

Guidance literature:

With potassium carbonate; In acetonitrile; Heating;

DOI:10.1016/j.bmcl.2004.05.073

Reference yield: 63.0%

4,4-ethylenedioxy-piperidine (177-11-7) + 2-chloro-ethanol (107-07-3) → 8-(2-hydroxyethyl)-1,4-dioxa-8-azaspiro[4,5]decane (37443-73-5)

Guidance literature:

With potassium carbonate; sodium iodide; In acetonitrile; for 20h; Reflux;

DOI:10.1007/s11172-014-0752-y

Reference yield:

→ 8-(2-hydroxyethyl)-1,4-dioxa-8-azaspiro[4,5]decane (37443-73-5)

Guidance literature:

entspr. Piperidin, Ethylenchlorhydrin;

upstream raw materials:

4,4-ethylenedioxy-piperidine

2-bromoethanol

2-chloro-ethanol

Downstream raw materials:

4-[2-(1,4-dioxa-8-azaspiro[4.5]dec-8-yl)ethoxy]phthalonitrile

Refernces

• 1、 Makarov,Rybalkina, E. Yu.,Klemenkova,R?schenthaler. "3,5-Bis(arylidene)-4-piperidinones modified with bisphosphonate groups using a 1,2,3-triazole ring: Synthesis and antitumor properties". . p. 2388 - 2394. Retrieved 2014.
• 2、 Blizzard, Timothy A.,DiNinno, Frank,Morgan II, Jerry D.,Wu, Jane Y.,Chen, Helen Y.,Kim, Seongkon,Chan, Wanda,Birzin, Elizabeth T.,Yang, Yi Tien,Pai, Lee-Yuh,Zhang, Zhoupeng,Hayes, Edward C.,DaSilva, Carolyn A.,Tang, Wei,Rohrer, Susan P.,Schaeffer, James M.,Hammond, Milton L.. "Estrogen receptor ligands. Part 8: Dihydrobenzoxathiin SERAMs with heteroatom-substituted side chains". . p. 3865 - 3868. Retrieved 2007/10/03.