1,4-Dioxa-8-azaspiro[4.5]decane

Base Information

• Chemical Name: 1,4-Dioxa-8-azaspiro[4.5]decane
• CAS No.: 177-11-7
• Molecular Formula: C7H13NO2
• Molecular Weight: 143.186
• Hs Code.: 29349990
• European Community (EC) Number: 205-868-6
• DSSTox Substance ID: DTXSID80170235
• Nikkaji Number: J193.664F
• Wikidata: Q72472641
• ChEMBL ID: CHEMBL3344301
• Mol file: 177-11-7.mol

Synonyms:1,4-Dioxa-8-azaspiro[4.5]decane;177-11-7;4-Piperidone ethylene ketal;4-Piperidinone ethyl ketal;4-Piperidone ethylene acetal;1,4-Dioxa-8-azaspiro(4.5)decane;1,4-Dioxa-8-azaspiro[4,5]decane;MFCD00005976;Piperidone-4-ethyleneketal;PIPERIDIN-4-ONE ETHYLENE KETAL;EINECS 205-868-6;1,4-dioxa-8-aza-spiro[4.5]decane;1,4-dioxa-8-azaspiro(4,5)decane;1,4-dioxa-8-azaspiro{4.5}decane;1,4-dioxa-8-aza-spiro{4.5}decane;4-Piperidone-ethylene ketal;4-Piperidinone ethylene acetal;4-Piperidinone, cyclic 1,2-ethanediyl acetal;4-Piperidone ethylene aceta;1,4-DIOXA-8-AZASPIRO-[4.5]DECANE;4-Piperidone Ethyleneketal;4,4-ethylenedioxypiperidine;4-piperidinone ethyleneketal;SCHEMBL9832;4,4-ethylenedioxy-piperidine;piperid-4-one ethylene ketal;CHEMBL3344301;DTXSID80170235;1,4dioxa-8-azaspiro[4.5]decane;1,4-dioxa-8-azaspiro(4,5)decan;1,4 dioxa-8-azaspiro[4.5]decane;1.4-dioxa-8-azaspiro[4.5]decane;AC-692;STL119815;1, 4-dioxa-8-azaspiro[4.5]decane;1,4 dioxa-8-aza-spiro[4,5]decane;1,4-dioxa-8-aza-spiro[4,5]decane;1,4-dioxa-8-azaspiro-[4,5]decane;1,4-dioxa-8-azaspiro[4,5]-decane;1,4-dioxa-8-azaspiro[4.5]-decane;1,4-dioxa-8-azaspiro[4.5]decane;8-aza-1,4-dioxa-spiro[4.5]decane;8-aza-1,4-dioxaspiro-[4,5]decane;AKOS000268798;1,4-dioxa-8-aza-spiro [4.5]decane;1,4-dioxa-8-aza-spiro[4.5] decane;1,4-dioxa-8-azaspiro-[4,5]-decane;1,4-dioxa-8-azaspiro-[4.5]-decane;AB00548;DS-0676;PS-5858;1,4-Dioxa-8-aza-spiro[4.5]-decane;1,4-Dioxa-8-azaspiro[4.5]decane #;1,4-dioxa-8-aza-spiro-[4.5]-decane;BP-12761;SY009887;1,4-DIOXA-8-AZASPIRO(4.5)DECAN;1,4-Dioxa-8-azaspiro[4.5]decane, 98%;AM20090050;CS-0020085;FT-0619427;P2325;EN300-30813;W-107832;F2190-0338;Z316909632

Chemical Property of 1,4-Dioxa-8-azaspiro[4.5]decane

Chemical Property:

• Appearance/Colour: clear colorless to yellowish liquid
• Vapor Pressure: 0.185mmHg at 25°C
• Refractive Index: n20/D 1.4819(lit.)
• Boiling Point: 211.138 °C at 760 mmHg
• PKA: 10.92±0.20(Predicted)
• Flash Point: 81.667 °C
• PSA: 30.49000
• Density: 1.12 g/cm³
• LogP: 0.44170
• Storage Temp.: Store below +30°C.
• Sensitive.: Air Sensitive
• Solubility.: DCM, Ethyl Acetate, Methanol
• Water Solubility.: Soluble in water (Partly miscible).
• XLogP3: -0.3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 143.094628657
• Heavy Atom Count: 10
• Complexity: 113

Purity/Quality:

99%, ^*data from raw suppliers

Piperidin-4-one Ethylene Ketal ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-36-24/25

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CNCCC12OCCO2
• Uses: Piperidin-4-one Ethylene Ketal is a derivative formed from the condensation of cyclohexanone. 1,4-Dioxa-8-azaspiro[4.5]decane was used in the synthesis of 1,4-dioxa-8-azaspiro [4,5] deca spirocyclotriphosphazenes.

Technology Process of 1,4-Dioxa-8-azaspiro[4.5]decane

There total 27 articles about 1,4-Dioxa-8-azaspiro[4.5]decane 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: 99.0%

8-benzyloxycarbonyl-1,4-dioxa-8-azaspiro[4.5]decane (139524-58-6) → 4,4-ethylenedioxy-piperidine (177-11-7)

Guidance literature:

With hydrogen; palladium on activated charcoal; In methanol; ethyl acetate; for 24h; Ambient temperature;

Reference yield: 93.8%

1,4-dioxa-8-azaspiro[4.5]decane hydrochloric acid (42899-11-6) → 4,4-ethylenedioxy-piperidine (177-11-7)

Guidance literature:

With sodium hydroxide; In water; at 25 ℃; for 0.5h; Large scale;

Reference yield: 85.0%

8-benzyl-1,4-dioxa-8-azaspiro[4.5]decane (37943-54-7) → 4,4-ethylenedioxy-piperidine (177-11-7)

Guidance literature:

With hydrogen; palladium on activated charcoal; In methanol; for 6h; Ambient temperature;

upstream raw materials:

8-benzyl-1,4-dioxa-8-azaspiro[4.5]decane

1,4-dioxa-8-aza-spiro[4.5]decane-8-carboxylic acid ethyl ester

8-benzyloxycarbonyl-1,4-dioxa-8-azaspiro[4.5]decane

4,4-ethylenedioxy-1-(phenoxycarbonyl)piperidine

Downstream raw materials:

4-(1,4-dioxa-8-azaspiro[4.5]dec-8-yl)benzaldehyde

1-[4-(1,4-dioxa-8-azaspiro[4.5]dec-8-yl)phenyl]ethanone

1-(4-methoxybenzoyl)-4-piperidone ethylene ketal

3-(1,4-Dioxa-8-aza-spiro[4.5]dec-8-yl)-2-hydroxy-2-phenyl-propionic acid ethyl ester

Refernces

• 1、 -. "PROCESSES AND INTERMEDIATES FOR MAKING A JAK INHIBITOR". Paragraph 0107-0108. . Retrieved 2019/08/22.
• 2、 Bogdan, Andrew R.,Charaschanya, Manwika,Dombrowski, Amanda W.,Wang, Ying,Djuric, Stevan W.. "High-Temperature Boc Deprotection in Flow and Its Application in Multistep Reaction Sequences". supporting information. p. 1732 - 1735. Retrieved 2016/05/19.