180464-87-3

Basic information

• Product Name: Bicyclo[1.1.1]pentane-1-carboxylic acid, 3-(hydroxymethyl)-, methyl ester (9CI)
• Synonyms: Bicyclo[1.1.1]pentane-1-carboxylic acid, 3-(hydroxymethyl)-, methyl ester (9CI);Methyl 3-(hydroxyMethyl)bicyclo[1.1.1]pentane-1-carboxylate;methyl 1-(hydroxymethyl)bicyclo[1.1.1]pentane-3-carboxylate
• CAS NO: 180464-87-3
• Molecular Formula: C₈H₁₂O₃
• Molecular Weight: 156.17908
• Product Categories: CARBOXYLICESTER
• Mol File: 180464-87-3.mol

Chemical Properties

• Boiling Point: 212.3±13.0 °C(Predicted)
• Appearance: /
• Density: 1.352±0.06 g/cm3(Predicted)
• Storage Temp.: Sealed in dry,Room Temperature
• PKA: 15.16±0.10(Predicted)
• CAS DataBase Reference: Bicyclo[1.1.1]pentane-1-carboxylic acid, 3-(hydroxymethyl)-, methyl ester (9CI)(CAS DataBase Reference)
• NIST Chemistry Reference: Bicyclo[1.1.1]pentane-1-carboxylic acid, 3-(hydroxymethyl)-, methyl ester (9CI)(180464-87-3)
• EPA Substance Registry System: Bicyclo[1.1.1]pentane-1-carboxylic acid, 3-(hydroxymethyl)-, methyl ester (9CI)(180464-87-3)

Safety Data

• Hazardous Substances Data: 180464-87-3(Hazardous Substances Data)

Usage

Uses

Used in Pharmaceutical Industry:
Bicyclo[1.1.1]pentane-1-carboxylic acid, 3-(hydroxymethyl)-, methyl ester (9CI) is used as a pharmaceutical intermediate for the synthesis of various drugs. Its unique chemical structure allows for the development of new therapeutic agents with potential applications in treating different diseases.
Used in Organic Synthesis:
In the field of organic synthesis, Bicyclo[1.1.1]pentane-1-carboxylic acid, 3-(hydroxymethyl)-, methyl ester (9CI) serves as a key building block for the synthesis of complex organic molecules. Its reactivity and properties make it a valuable component in the creation of novel compounds with diverse applications.
Safety Precautions:
It is important to handle Bicyclo[1.1.1]pentane-1-carboxylic acid, 3-(hydroxymethyl)-, methyl ester (9CI) with care, as it may present hazards such as flammability and skin irritation. Proper safety measures should be taken during its storage, handling, and use to minimize potential risks.

Upstream product

• 109-02-4 4-methyl-morpholine 
• 56842-95-6 bicyclo<1.1.1>pentane-1,3-dicarboxylic acid 
• 311-75-1 bicyclo[1.1.1]pentane 
• 115913-32-1 dimethyl bicyclo<1.1.1>pentane-1,3-dicarboxylate 
• 115913-31-0 1,3-bis(chlorocarbonyl)bicyclo<1.1.1>pentane 
• 83249-10-9 3‐(methoxycarbonyl)bicyclo[1.1.1]pentane‐1‐carboxylic acid 
• 115913-30-9 1,1′-(bicyclo[1.1.1]pentane-1,3-diyl)bis(ethan-1-one) 

Downstream Products

• 1113001-95-8 C₂₀H₂₉N₂O₄P 
• 1113001-93-6 C₂₀H₂₉N₂O₄P 
• 180464-96-4 3-[(S)-Cyano-((R)-2-hydroxy-1-phenyl-ethylamino)-methyl]-bicyclo[1.1.1]pentane-1-carboxylic acid methyl ester 
• 180465-00-3 3-[(R)-Cyano-((R)-2-hydroxy-1-phenyl-ethylamino)-methyl]-bicyclo[1.1.1]pentane-1-carboxylic acid methyl ester 
• 180464-92-0 3-formylbicyclo[1.1.1]pentane-1-carboxylic acid methyl ester 

Relevant articles and documents

SSAO INHIBITORS AND USE THEREOF

Provided are a compound of formula (I') or (I), a pharmaceutically acceptable salt, hydrate, solvate, prodrug, stereoisomer, or tautomer thereof, which modulates the activity of SSAO, a pharmaceutical composition comprising a compound of formula (I') or (I), and a method of treating or preventing a disease in which SSAO plays a role.

ANTI-HUMAN VISTA ANTIBODIES AND USE THEREOF

The invention provides anti-VISTA antibody drug conjugates which may be used for targeted delivery of anti-inflammatory agents such as steroids to immune cells, e.g., myeloid cells. The invention also provides methods of using anti-VISTA antibody drug conjugates in the treatment of inflammatory and/or autoimmune conditions and/or for alleviating the toxicity of anti-inflammatory agents such as steroids.

CARDIAC SARCOMERE INHIBITORS

Provided are compounds of Formula (I), or a pharmaceutically acceptable salt thereof, wherein R1, R2A, R2B, R3, R4, and R5 are as defined herein. Also provided is a pharmaceutically acceptable composition comprising a compound of Formula (I), or a pharmaceutically acceptable salt thereof. Also provided are methods of using a compound of Formula (I), or a pharmaceutically acceptable salt thereof.

Nitroxide derivative of ROCK kinase inhibitor

The invention provides a small molecular compound of a NO donor. The small molecular compound is characterized in that the small molecular compound is a compound shown represented by structural formula I shown in the description, or a stereoisomer, a geometrical isomer, a tautomer, a racemate, a deuterated isotope derivative, a hydrate, a solvate, a metabolite, a pharmaceutically acceptable salt or a prodrug thereof; and in the formula I, ring A is a substituted or unsubstituted heteroaromatic ring, X is selected from (CH2)n, n is selected from 0, 1, 2 and 3, R is a substituent group of terminal -O-NO2, R is selected from hydrogen, a hydroxyl group, halogen, an amino group, a cyano group, a substituted or unsubstituted alkyl group, a substituted or unsubstituted alkoxy group, a substituted or unsubstituted alkenyl group, a substituted or unsubstituted alkynyl group and a substituted or unsubstituted heteroalkyl group, and R and R are respectively and independently selected from hydrogen, a substituted or unsubstituted alkyl group, a substituted or unsubstituted naphthenic base or an amino protecting group, or R and R are connected to form a substituted or unsubstituted cyclic heteroalkyl group. The compound has a high-activity inhibition effect on ROCK kinase.

SUBSTITUTED BICYCLIC COMPOUNDS AS FARNESOID X RECEPTOR MODULATORS

Disclosed are compounds of Formula (I): or a stereoisomer, a tautomer, or a salt or solvate thereof, wherein Q is C2-6 alkenyl or C2-6 alkynyl, each substituted with zero to 2 R1; and the other variables are as defined herein. These compounds modulate the activity of farnesoid X receptor (FXR), for example, as agonists. Also disclosed are pharmaceutical compositions comprising these compounds and methods of treating a disease, disorder, or condition associated with FXR dysregulation, such as pathological fibrosis, transplant rejection, cancer, osteoporosis, and inflammatory disorders, by using the compounds and pharmaceutical compositions.

Cubane, Bicyclo[1.1.1]pentane and Bicyclo[2.2.2]octane: Impact and Thermal Sensitiveness of Carboxyl-, Hydroxymethyl- and Iodo-substituents

With the burgeoning interest in cage motifs for bioactive molecule discovery, and the recent disclosure of 1,4-cubane-dicarboxylic acid impact sensitivity, more research into the safety profiles of cage scaffolds is required. Therefore, the impact sensitivity and thermal decomposition behavior of judiciously selected starting materials and synthetic intermediates of cubane, bicyclo[1.1.1]pentane (BCP), and bicyclo[2.2.2]octane (BCO) were evaluated via hammer test and sealed cell differential scanning calorimetry, respectively. Iodo-substituted systems were found to be more impact sensitive, whereas hydroxymethyl substitution led to more rapid thermodecomposition. Cubane was more likely to be impact sensitive with these substituents, followed by BCP, whereas all BCOs were unresponsive. The majority of derivatives were placed substantially above Yoshida thresholds—a computational indicator of sensitivity.

CYCLOBUTYL CARBOXYLIC ACIDS AS LPA ANTAGONISTS

The present invention provides compounds of Formula (I): (I), or a stereoisomer, tautomer, or pharmaceutically acceptable salt or solvate thereof, wherein all the variables are as defined herein. These compounds are selective LPA receptor inhibitors.

LACTAM COMPOUND AS FXR RECEPTOR AGONIST

Disclosed is a compound as shown in formula (I), an optical isomer thereof or a pharmaceutically acceptable salt thereof, and the present invention relates to the use of same in the preparation of a drug for treating FXR-related diseases.

A DNA toxicity dimer compound (by machine translation)

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