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Tert-butyl 1-oxo-2-oxa-8-azaspiro[4.5]decane-8-carboxylate is a complex chemical compound featuring a spirocyclic backbone. It is composed of three main constituents: tert-butyl (an alkyl group), carboxylate (a form of organic acid), and the spirocyclic element which includes an oxygen atom, a nitrogen atom, and two carbon rings. tert-butyl 1-oxo-2-oxa-8-azaspiro[4.5]decane-8-carboxylate is situated within the realm of advanced organic chemistry and is significant in scientific areas such as pharmaceuticals, organic synthesis, and materials science. Its nomenclature adheres to the IUPAC rules for systematic organic naming.

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  • 154348-08-0 Structure
  • Basic information

    1. Product Name: tert-butyl 1-oxo-2-oxa-8-azaspiro[4.5]decane-8-carboxylate
    2. Synonyms: tert-butyl 1-oxo-2-oxa-8-azaspiro[4.5]decane-8-carboxylate;2-Oxa-8-azaspiro[4.5]decane-8-carboxylic acid, 1-oxo-, 1,1-diMethylethyl ester;1-Oxo-2-oxa-8-aza-spiro[4.5]decane-8-carboxylic acid tert-butyl ester
    3. CAS NO:154348-08-0
    4. Molecular Formula: C13H21NO4
    5. Molecular Weight: 255.312
    6. EINECS: N/A
    7. Product Categories: N/A
    8. Mol File: 154348-08-0.mol
  • Chemical Properties

    1. Melting Point: N/A
    2. Boiling Point: 399.578°C at 760 mmHg
    3. Flash Point: 195.458°C
    4. Appearance: /
    5. Density: 1.163g/cm3
    6. Vapor Pressure: 0mmHg at 25°C
    7. Refractive Index: 1.511
    8. Storage Temp.: N/A
    9. Solubility: N/A
    10. PKA: -0.82±0.20(Predicted)
    11. CAS DataBase Reference: tert-butyl 1-oxo-2-oxa-8-azaspiro[4.5]decane-8-carboxylate(CAS DataBase Reference)
    12. NIST Chemistry Reference: tert-butyl 1-oxo-2-oxa-8-azaspiro[4.5]decane-8-carboxylate(154348-08-0)
    13. EPA Substance Registry System: tert-butyl 1-oxo-2-oxa-8-azaspiro[4.5]decane-8-carboxylate(154348-08-0)
  • Safety Data

    1. Hazard Codes: N/A
    2. Statements: N/A
    3. Safety Statements: N/A
    4. WGK Germany:
    5. RTECS:
    6. HazardClass: N/A
    7. PackingGroup: N/A
    8. Hazardous Substances Data: 154348-08-0(Hazardous Substances Data)

154348-08-0 Usage

Uses

Used in Pharmaceutical Industry:
Tert-butyl 1-oxo-2-oxa-8-azaspiro[4.5]decane-8-carboxylate is used as a key intermediate in the synthesis of various pharmaceutical compounds. Its unique structure allows for the creation of new drug molecules with potential therapeutic applications.
Used in Organic Synthesis:
In the field of organic synthesis, tert-butyl 1-oxo-2-oxa-8-azaspiro[4.5]decane-8-carboxylate serves as a valuable building block for the construction of more complex organic molecules. Its versatility in reactions makes it a useful component in the synthesis of a wide range of chemical products.
Used in Materials Science:
Tert-butyl 1-oxo-2-oxa-8-azaspiro[4.5]decane-8-carboxylate is utilized as a component in the development of new materials with specific properties. Its incorporation into material compositions can lead to advancements in areas such as polymer science, nanotechnology, and material engineering.

Check Digit Verification of cas no

The CAS Registry Mumber 154348-08-0 includes 9 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 6 digits, 1,5,4,3,4 and 8 respectively; the second part has 2 digits, 0 and 8 respectively.
Calculate Digit Verification of CAS Registry Number 154348-08:
(8*1)+(7*5)+(6*4)+(5*3)+(4*4)+(3*8)+(2*0)+(1*8)=130
130 % 10 = 0
So 154348-08-0 is a valid CAS Registry Number.
InChI:InChI=1/C13H21NO4/c1-12(2,3)18-11(16)14-7-4-13(5-8-14)6-9-17-10(13)15/h4-9H2,1-3H3

154348-08-0SDS

SAFETY DATA SHEETS

According to Globally Harmonized System of Classification and Labelling of Chemicals (GHS) - Sixth revised edition

Version: 1.0

Creation Date: Aug 12, 2017

Revision Date: Aug 12, 2017

1.Identification

1.1 GHS Product identifier

Product name Tert-Butyl 1-oxo-2-oxa-8-azaspiro[4.5]decane-8-carboxylate

1.2 Other means of identification

Product number -
Other names -

1.3 Recommended use of the chemical and restrictions on use

Identified uses For industry use only.
Uses advised against no data available

1.4 Supplier's details

1.5 Emergency phone number

Emergency phone number -
Service hours Monday to Friday, 9am-5pm (Standard time zone: UTC/GMT +8 hours).

More Details:154348-08-0 SDS

154348-08-0Relevant articles and documents

Cyclohexane derivatives and their use as therapeutic agents

-

Page 30, (2010/02/06)

The present invention relates compounds of formula (I), wherein ring A is a phenyl or pyridyl ring; X represents a linker selected from the group consisting of formulae: (a), (b), (c), (d), and (e); and R1, R2, R3, R4, R5, R6, R7, R13, R14, R15, R16, R17, R21a and R21b are as defined herein. The compounds are of particular use in the treatment or prevention of depression, anxiety, pain, inflammation, migraine, emesis or postherpetic neuralgia.

Cyclohexyl derivatives and their use as therapeutic agents

-

Page 27, (2010/02/03)

The present invention relates compounds of the formula (I): wherein ring A is a phenyl or pyridyl ring; X represents a linker selected from the group consisting of: (a), (b), (c), (d), (e), (f), (g), (h), (i), (j), (k), (l) and R1, R2, R3, R4, R5, R6, R7, R13, R14, R15, R16, R?17, R18, R19, R21a and R21b are as defined herein. The compounds are of particular use in the treatment or prevention of depression, anxiety, pain, inflammation, migraine, emesis or postherpetic neuralgia.

4,4-Disubstituted cyclohexylamine NK1 receptor antagonists II

Cooper, Laura C.,Carlson, Emma J.,Castro, Jose L.,Chicchi, Gary G.,Dinnell, Kevin,Di Salvo, Jerry,Elliott, Jason M.,Hollingworth, Gregory J.,Kurtz, Marc M.,Ridgill, Mark P.,Rycroft, Wayne,Tsao, Kwei-Lan,Swain, Christopher J.

, p. 1759 - 1762 (2007/10/03)

A series of novel 4,4-disubstituted cyclohexylamines as NK1 receptor antagonists is described: modifications to the amine moiety retain NK1 receptor binding affinity whilst disrupting IKr affinity.

Synthesis and pharmacological evaluation of a new class of 2-oxo-8- azaspiro (4,5)decan-1-ones as analogues of the muscarinic agonist RS-86

Cignarella,Villa,Barlocco

, p. 1439 - 1445 (2007/10/02)

A new series of 8-substituted-2-oxo-8-azapsiro (4,5)decan-1-ones has been synthesized and compounds tested for their cholinergic properties in comparison with the muscarinic agonist RS-86. Preliminary in vitro and in vivo pharmacological data indicate that none of them is provided with significant cholinergic effects either at central or peripheral level. A possible explanation for the lack of activity is given on the basis of conformational studies.

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