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4-Hydroxy-Bicyclo[2.2.2]octane-1-carboxylic acid is an organic compound with a unique bicyclic structure and a carboxylic acid functional group. It is characterized by the presence of a hydroxyl group attached to the bicyclic ring system, which contributes to its reactivity and potential applications in various chemical and pharmaceutical processes.

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  • 1127-13-5 Structure
  • Basic information

    1. Product Name: 4-hydroxy-Bicyclo[2.2.2]octane-1-carboxylic acid
    2. Synonyms: 4-hydroxy-Bicyclo[2.2.2]octane-1-carboxylic acid
    3. CAS NO:1127-13-5
    4. Molecular Formula: C9H14O3
    5. Molecular Weight: 170.20566
    6. EINECS: N/A
    7. Product Categories: N/A
    8. Mol File: 1127-13-5.mol
  • Chemical Properties

    1. Melting Point: 224-226 °C(bomb tube)
    2. Boiling Point: 322.2±42.0 °C(Predicted)
    3. Flash Point: N/A
    4. Appearance: /
    5. Density: 1.398±0.06 g/cm3(Predicted)
    6. Refractive Index: N/A
    7. Storage Temp.: Sealed in dry,Room Temperature
    8. Solubility: N/A
    9. PKA: 4.84±0.10(Predicted)
    10. CAS DataBase Reference: 4-hydroxy-Bicyclo[2.2.2]octane-1-carboxylic acid(CAS DataBase Reference)
    11. NIST Chemistry Reference: 4-hydroxy-Bicyclo[2.2.2]octane-1-carboxylic acid(1127-13-5)
    12. EPA Substance Registry System: 4-hydroxy-Bicyclo[2.2.2]octane-1-carboxylic acid(1127-13-5)
  • 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: 1127-13-5(Hazardous Substances Data)

1127-13-5 Usage

Uses

Used in Pharmaceutical Industry:
4-Hydroxy-Bicyclo[2.2.2]octane-1-carboxylic acid is used as a reagent/reactant for the preparation and structure-activity relations of tricyclic imidazoline derivatives. These derivatives have been identified as potent and selective adenosine A1 receptor antagonists, which play a crucial role in various physiological processes and have potential therapeutic applications in treating conditions such as neurodegenerative diseases, cardiovascular disorders, and certain types of cancer.

Check Digit Verification of cas no

The CAS Registry Mumber 1127-13-5 includes 7 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 4 digits, 1,1,2 and 7 respectively; the second part has 2 digits, 1 and 3 respectively.
Calculate Digit Verification of CAS Registry Number 1127-13:
(6*1)+(5*1)+(4*2)+(3*7)+(2*1)+(1*3)=45
45 % 10 = 5
So 1127-13-5 is a valid CAS Registry Number.

1127-13-5SDS

SAFETY DATA SHEETS

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

Version: 1.0

Creation Date: Aug 16, 2017

Revision Date: Aug 16, 2017

1.Identification

1.1 GHS Product identifier

Product name 4-Hydroxybicyclo[2.2.2]octane-1-carboxylic acid

1.2 Other means of identification

Product number -
Other names QC-4578

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:1127-13-5 SDS

1127-13-5Relevant articles and documents

A Molecular Torsion Balance Study: A Nearby Anionic Group Exerts Little Influence on Hydrophobic Interactions between Nonpolar Surfaces

Ling, Xiujun,Wilcox, Craig S.

, p. 14010 - 14014 (2019)

Polar groups have a solvent ordering effect on water and therefore may affect hydrophobic binding energies for nearby lipophilic surfaces. This would mean that determinations of excess surface free energy association energies require consideration of nearby polar functional groups. This paper reports results of a study to measure this possible effect. It was concluded from the models used here that an anionic polar group nearby a hydrophobic surface has little or no effect on the magnitude of hydrophobic association.

ISOXAZOLYL-CARBONYLOXY AZABICYCLO[3.2.1]OCTANYL COMPOUNDS AS FXR ACTIVATORS

-

, (2018/09/25)

The disclosure relates to activators of FXR useful in the treatment of autoimmune disorders, liver disease, intestinal disease, kidney disease, cancer, and other diseases in which FXR plays a role, having the Formula (I): wherein L1, L2, A, B, R1, R2, R3, and R4 are described herein.

COMBINATIONS OF HEPATITIS C VIRUS INHIBITORS

-

, (2015/02/02)

The present disclosure is generally directed to antiviral compounds, and more specifically directed to combinations of compounds which can inhibit the function of the NS5A protein encoded by Hepatitis C virus (HCV), compositions comprising such combinations, and methods for inhibiting the function of the NS5A protein.

SUBSTITUTED DIAMINOCARBOXAMIDE AND DIAMINOCARBONITRILE PYRIMIDINES, COMPOSITIONS THEREOF, AND METHODS OF TREATMENT THEREWITH

-

, (2012/11/07)

Provided herein are Diaminopyrimidine Compounds having the following structures: wherein R1, R2, R3, and R4 are as defined herein, compositions comprising an effective amount of a Diaminopyrimidine Compound, and methods for treating or preventing liver fibrotic disorders or a condition treatable or preventable by inhibition of a JNK pathway.

NOVEL AMIDE AND AMIDINE DERIVATIVES AND USES THEREOF

-

Page/Page column 34, (2010/11/03)

The present invention relates to inhibitors of 11-β-hydroxysteroid dehydrogenase type 1 enzyme and their use in treatment of non-insulin dependent type 2 diabetes, insulin resistance, obesity, lipid disorders, metabolic syndrome, central nervous system disorders, and diseases and conditions that are related to excessive glucocorticoids.

HETEROBICYCLIC METALLOPROTEASE INHIBITORS

-

Page/Page column 174, (2008/06/13)

The present invention relates generally to amide group containing pharmaceutical agents, and in particular, to amide containing heterobicyclic metalloprotease inhibitor compounds. More particularly, the present invention provides a new class of heterobicyclic MMP- 13 inhibiting compounds, that exhibit an increased potency in relation to currently known MMP- 13 inhibitors.

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