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Tert-Butyl 8-benzyl-2,8-diazaspiro[4.5]decane-2-carboxylate is a synthetic tetracyclic compound characterized by a spirocyclic ring system, a carboxylic ester group, and a benzyl moiety. The presence of a tert-butyl substituent on the nitrogen atom of the spirocyclic ring introduces steric hindrance, enhancing the molecule's stability. Its unique structure and properties suggest potential pharmaceutical applications, although further research is required to elucidate its specific uses and biological activities.

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  • 8-BENZYL-2,8-DIAZA-SPIRO[4.5]DECANE-2-CARBOXYLIC ACID TERT-BUTYL ESTER

    Cas No: 336191-16-3

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  • 336191-16-3 Structure
  • Basic information

    1. Product Name: tert-Butyl 8-benzyl-2,8-diazaspiro[4.5]decane-2-carboxylate
    2. Synonyms: tert-Butyl 8-benzyl-2,8-diazaspiro[4.5]decane-2-carboxylate;8-Benzyl-2,8-diaza-spiro[4.5]decane-2-carboxylic acid tert-butyl ester;2,8-Diazaspiro[4.5]decane-2-carboxylic acid, 8-(phenylMethyl)-, 1,1-diMethylethyl ester
    3. CAS NO:336191-16-3
    4. Molecular Formula: C20H30N2O2
    5. Molecular Weight: 344.496
    6. EINECS: N/A
    7. Product Categories: N/A
    8. Mol File: 336191-16-3.mol
  • Chemical Properties

    1. Melting Point: N/A
    2. Boiling Point: 428.9°C at 760 mmHg
    3. Flash Point: 213.2°C
    4. Appearance: /
    5. Density: 1.10
    6. Vapor Pressure: 1.47E-07mmHg at 25°C
    7. Refractive Index: 1.564
    8. Storage Temp.: 2-8°C
    9. Solubility: N/A
    10. CAS DataBase Reference: tert-Butyl 8-benzyl-2,8-diazaspiro[4.5]decane-2-carboxylate(CAS DataBase Reference)
    11. NIST Chemistry Reference: tert-Butyl 8-benzyl-2,8-diazaspiro[4.5]decane-2-carboxylate(336191-16-3)
    12. EPA Substance Registry System: tert-Butyl 8-benzyl-2,8-diazaspiro[4.5]decane-2-carboxylate(336191-16-3)
  • Safety Data

    1. Hazard Codes: N/A
    2. Statements: N/A
    3. Safety Statements: N/A
    4. WGK Germany:
    5. RTECS:
    6. HazardClass: IRRITANT
    7. PackingGroup: N/A
    8. Hazardous Substances Data: 336191-16-3(Hazardous Substances Data)

336191-16-3 Usage

Uses

Used in Pharmaceutical Industry:
Tert-Butyl 8-benzyl-2,8-diazaspiro[4.5]decane-2-carboxylate is used as a potential pharmaceutical candidate due to its unique structure and properties. tert-Butyl 8-benzyl-2,8-diazaspiro[4.5]decane-2-carboxylate's complex chemical composition, including the spirocyclic ring system and the carboxylic ester group, may contribute to its potential as a therapeutic agent. The steric hindrance provided by the tert-butyl substituent could also play a role in its interaction with biological targets, although further research is needed to determine its specific applications and efficacy.
Used in Drug Development Research:
In the field of drug development research, Tert-Butyl 8-benzyl-2,8-diazaspiro[4.5]decane-2-carboxylate serves as a valuable compound for exploring new chemical spaces and potential therapeutic targets. Its unique structural features may offer insights into the design of novel drugs with improved pharmacological profiles. tert-Butyl 8-benzyl-2,8-diazaspiro[4.5]decane-2-carboxylate's potential biological activities and interactions with biological systems are areas of active investigation, with the aim of identifying its role in various therapeutic applications.

Check Digit Verification of cas no

The CAS Registry Mumber 336191-16-3 includes 9 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 6 digits, 3,3,6,1,9 and 1 respectively; the second part has 2 digits, 1 and 6 respectively.
Calculate Digit Verification of CAS Registry Number 336191-16:
(8*3)+(7*3)+(6*6)+(5*1)+(4*9)+(3*1)+(2*1)+(1*6)=133
133 % 10 = 3
So 336191-16-3 is a valid CAS Registry Number.
InChI:InChI=1/C20H30N2O2/c1-19(2,3)24-18(23)22-14-11-20(16-22)9-12-21(13-10-20)15-17-7-5-4-6-8-17/h4-8H,9-16H2,1-3H3

336191-16-3SDS

SAFETY DATA SHEETS

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

Version: 1.0

Creation Date: Aug 18, 2017

Revision Date: Aug 18, 2017

1.Identification

1.1 GHS Product identifier

Product name tert-butyl 8-benzyl-2,8-diazaspiro[4.5]decane-2-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:336191-16-3 SDS

336191-16-3Relevant articles and documents

SUBSTITUTED AZASPIRO DERIVATIVES

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Page/Page column 35, (2008/12/08)

Substituted azaspiro derivatives of the Formula:are provided, in which variables are as described herein. Such compounds may be used to modulate ligand binding to histamine H3 receptors in vivo or in vitro, and are particularly useful in the treatment of a variety of central nervous system (CNS) and other disorders in humans, domesticated companion animals and livestock animals. Compounds provided herein may be administered alone or in combination with one or more other CNS agents to potentiate the effects of the other CNS agent(s). Pharmaceutical compositions and methods for treating such disorders are provided, as are methods for using such ligands for detecting histamine H3 receptors (e.g., receptor localization studies).

SPIROCYCLIC SULFONAMIDES AND RELATED COMPOUNDS

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Page/Page column 55, (2010/11/29)

Spirocyclic sulfonamides and related compounds of Formula 1 are provided : (Formula (I)): in which the variables are as described herein. Such compounds may be used to modulate bradykinin receptor activity in vivo or in vitro, and are particularly useful

2-CYANOPYRROLOPYRIMIDINES AND PHARMACEUTICAL USES THEREOF

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Page/Page column 42, (2010/02/08)

The invention relates to pyrrolo pyrimidines of formula (I), wherein Y represents -(CH2)t-O- or -(CH2)r-S-, p is 1 or 2, r is 1, 2 or 3, t is 1, 2 or 3, or Y is -(CH2)j- or -CH=CH-, j is 1 or 2; p is 1 or 2, or Y is -(CH2)f-, f is 1 or 2, p is 1, and the further radicals and symbols have the meaning as defined herein; their preparation, their use as pharmaceuticals, pharmaceutical compositions containing them, the use of such a compound for the manufacture of a pharmaceutical preparation for the treatment of neuropathic pain and to a method for the treatment of such a disease in animals, especially in humans.

Pyridyl-containing spirocyclic compounds as inhibitors of fibrinogen-dependent platelet aggregation

-

, (2008/06/13)

Disclosed are certain substituted or unsubstituted pyridyl-containing spirocyclic compounds substituted with both basic and acidic functionality, which are useful in inhibiting platelet aggregation, inhibiting the binding of fibrinogen to blood platelets, and preventing or treating thrombosis

Spirocyclic nonpeptide glycoprotein IIb-IIIa antagonists. Part 3: Synthesis and SAR of potent and specific 2,8-diazaspiro[4.5]decanes

Mehrotra, Mukund M.,Heath, Julie A.,Rose, Jack W.,Smyth, Mark S.,Seroogy, Joseph,Volkots, Deborah L.,Ruhter, Gerd,Schotten, Theo,Alaimo, Lisa,Park, Gary,Pandey, Anjali,Scarborough, Robert M.

, p. 1103 - 1107 (2007/10/03)

The synthesis and biological activity of analogues containing spiro piperidinylpyridine and pyrrolidinylpyridine templates are described. The potent activity of these compounds as platelet aggregation inhibitors demonstrates the utility of the spiro structures as central template for nonpeptide RGD mimics.

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