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Ethyl 3-azabicyclo[3.1.0]hexane-6-carboxylate is a chemical compound characterized by its unique and complex structure, being a derivative of the azabicyclo[3.1.0]hexane ring system with an ethyl ester functional group. It is known for its stable and rigid structure, making it a promising candidate for chemical synthesis and structural modification in the fields of chemistry and pharmacology.

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  • 174456-77-0 Structure
  • Basic information

    1. Product Name: Ethyl 3-azabicyclo[3.1.0]hexane-6-carboxylate
    2. Synonyms: ETHYL 3-AZABICYCLO[3.1.0]HEXANE-6-CARBOXYLATE;3-Azabicyclo[3.1.0]hexane-6-carboxylicacid,ethylester,(1alpha,5alpha,6alpha)-(9CI);cis-Ethyl 3-azabicyclo[3.1.0]hexane-6-carboxylate;Ethyl cis-3-azabicyclo[3.1.0]hexane-6-carboxylate;ethyl (1R*,5S*,6r*)-3-azabicyclo[3.1.0]hexane-6-carboxylate(SALTDATA: HCl);(1R,5S)-Ethyl 3-azabicyclo[3.1.0]hexane-6-carboxylate;(1R,5S,6r)-rel-Ethyl 3-azabicyclo[3.1.0]hexane-6-carboxylate;(1R,5S,6r)-ethyl 3-azabicyclo[3.1.0]hexane-6-carboxylate
    3. CAS NO:174456-77-0
    4. Molecular Formula: C8H13NO2
    5. Molecular Weight: 155.19
    6. EINECS: N/A
    7. Product Categories: CARBOXYLICESTER;pharmacetical
    8. Mol File: 174456-77-0.mol
  • Chemical Properties

    1. Melting Point: N/A
    2. Boiling Point: 212.6oC at760mmHg
    3. Flash Point: 82.4oC
    4. Appearance: /
    5. Density: 1.127g/cm3
    6. Vapor Pressure: 0.172mmHg at 25°C
    7. Refractive Index: 1.493
    8. Storage Temp.: N/A
    9. Solubility: N/A
    10. PKA: 10.49±0.40(Predicted)
    11. CAS DataBase Reference: Ethyl 3-azabicyclo[3.1.0]hexane-6-carboxylate(CAS DataBase Reference)
    12. NIST Chemistry Reference: Ethyl 3-azabicyclo[3.1.0]hexane-6-carboxylate(174456-77-0)
    13. EPA Substance Registry System: Ethyl 3-azabicyclo[3.1.0]hexane-6-carboxylate(174456-77-0)
  • 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: 174456-77-0(Hazardous Substances Data)

174456-77-0 Usage

Uses

Used in Medicinal Chemistry:
Ethyl 3-azabicyclo[3.1.0]hexane-6-carboxylate is used as a building block for the synthesis of pharmaceuticals and bioactive compounds due to its versatile chemical properties and potential to be modified for specific applications in drug development.
Used in Chemical Synthesis:
In the field of chemical synthesis, Ethyl 3-azabicyclo[3.1.0]hexane-6-carboxylate is utilized as a valuable component for creating new compounds with desired properties, taking advantage of its stable and rigid structure to enhance the synthesis process and yield of target molecules.
Used in Structural Modification:
Ethyl 3-azabicyclo[3.1.0]hexane-6-carboxylate is employed for structural modification to improve the properties of existing compounds or to create novel molecules with specific biological activities, contributing to the advancement of pharmaceutical and chemical research.

Check Digit Verification of cas no

The CAS Registry Mumber 174456-77-0 includes 9 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 6 digits, 1,7,4,4,5 and 6 respectively; the second part has 2 digits, 7 and 7 respectively.
Calculate Digit Verification of CAS Registry Number 174456-77:
(8*1)+(7*7)+(6*4)+(5*4)+(4*5)+(3*6)+(2*7)+(1*7)=160
160 % 10 = 0
So 174456-77-0 is a valid CAS Registry Number.
InChI:InChI=1/C8H13NO2/c1-2-11-8(10)7-5-3-9-4-6(5)7/h5-7,9H,2-4H2,1H3

174456-77-0SDS

SAFETY DATA SHEETS

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

Version: 1.0

Creation Date: Aug 19, 2017

Revision Date: Aug 19, 2017

1.Identification

1.1 GHS Product identifier

Product name ethyl (1R*,5S*,6r*)-3-azabicyclo[3.1.0]hexane-6-carboxylate(SALTDATA: HCl)

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:174456-77-0 SDS

174456-77-0Relevant articles and documents

Synthesis and diacylglycerol acyltransferase-1 inhibition of azabicyclo[3.1.0]hexane derivatives

Han, Seo-Jung,Lee, Gwi Bin,Kwak, Hyun Jung,Pagire, Suvarna H.,Kim, Ji Young,Pagire, Haushabhau S.,Park, Sung Bum,Chae, Chong Hak,Lee, Joo Yun,Kim, Ki Young,Rhee, Sang Dal,Kim, Hee Youn,Shin, Sun Hye,Bae, Myung Ae,Park, Mi-Jin,Kim, Dooseop,Lee, Duck Hyung,Ahn, Jin Hee

, p. 1586 - 1593 (2015/07/15)

We identified azabicyclo[3.1.0]hexane derivatives that are active diacylglycerol acyltransferase-1 (DGAT)-1 inhibitor. Among the azabicyclo[3.1.0]hexane series, compound 6b showed good in vitro activity toward human DGAT-1, selectivity toward DGAT-2, and

BENZODIOXANES FOR INHIBITING LEUKOTRIENE PRODUCTION

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Page/Page column 96; 97, (2013/09/26)

The present invention relates to compounds of formula (I) wherein R1 to R3, A, X and n are as defined herein. The compounds of formula (I) are useful as inhibitors of leukotriene A4 hydrolase (LTA4H) and treating LTA4H related disorder. The present invention also relates to pharmaceutical compositions comprising the compounds of formula (I), methods of using these compounds in the treatment of various diseases and disorders, and processes for preparing these compounds.

BENZODIOXANE INHIBITORS OF LEUKOTRIENE PRODUCTION FOR COMBINATION THERAPY

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Paragraph 0348, (2013/09/26)

The present invention relates to a combination comprising compounds of formula (I): wherein R1 to R3, A, X and n are as defined herein, and an additional active agent. The present invention also relates to pharmaceutical compositions comprising these combinations, and methods of using these combinations to treat various diseases and disorders.

INDOLE DERIVATIVES USEFUL AS CCR2 ANTAGONISTS

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, (2012/10/07)

Disclosed are the CCR2 antagonists of Formula I: I or pharmaceutically acceptable salt thereof wherein R7, A, X, B, and n are defined herein. Also disclosed are pharmaceutical compositions containing the compounds, methods of treatment using the compounds

SUBSTITUTED 3-AZABICYCLO[3.1.0]HEXANE DERIVATIVES USEFUL AS CCR2 ANTAGONISTS

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, (2012/10/07)

Disclosed are CCR2 antagonists of Formula (I)or pharmaceutically acceptable thereof, wherein R1, L1 and A are defined herein. Also disclosed are pharmaceutical compositions containing the compounds, methods of treatment using the compounds, and compositions to treat diseases or disorders associated with CCR2 activity.

6-(3-AZA-BICYCLO[3.1.0]HEX-3-YL)-2-PHENYL-PYRIMIDINES

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Page/Page column 43-44, (2010/11/03)

The present invention relates to 6-(3-aza-bicyclo[3.1.0]hex-3-yl)-2-phenyl-pyrimidine derivatives and their use as P2Y12 receptor antagonists in the treatment and/or prevention of peripheral vascular, of visceral-, hepatic- and renal-vascular, of cardiovascular and of cerebrovascular diseases or conditions associated with platelet aggregation, including thrombosis in humans and other mammals.

ANTIMICROBIAL [3.1.0] BICYCLIC OXAZOLIDINONE DERIVATIVES

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Page 63-64, (2010/02/06)

The present invention provides certain [3.1.0] bicyclic oxazolidinone derivatives of Formulea I and II, described herein, or pharmaceutically acceptable salts or prodrugs thereof that are antibacterial agents, pharmaceutical compositions containing them,

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