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5-Isoxazolemethanol, with the molecular formula C4H5NO2, is a white crystalline solid that serves as a crucial building block in the synthesis of pharmaceuticals and other organic compounds. Its versatility and chemical properties make it a valuable component in the development of various medications and chemical processes.

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  • 127232-41-1 Structure
  • Basic information

    1. Product Name: 5-ISOXAZOLEMETHANOL
    2. Synonyms: OXAZOLE-5-METHANOL;5-ISOXAZOLEMETHANOL;AKOS PAO-1429;ISOXAZOL-5-YL-METHANOL;5-(Hydroxymethyl)-1,3-oxazole;5-(Hydroxymethyl)-1,3-oxazole 95%;1,3-Oxazol-5-methanol;1,3-Oxazol-5-ylmethanol
    3. CAS NO:127232-41-1
    4. Molecular Formula: C4H5NO2
    5. Molecular Weight: 99.09
    6. EINECS: N/A
    7. Product Categories: blocks;Oxazoles
    8. Mol File: 127232-41-1.mol
  • Chemical Properties

    1. Melting Point: N/A
    2. Boiling Point: 212.785 °C at 760 mmHg
    3. Flash Point: 82.49 °C
    4. Appearance: /
    5. Density: 1.25 g/cm3
    6. Vapor Pressure: 0.101mmHg at 25°C
    7. Refractive Index: 1.494
    8. Storage Temp.: Sealed in dry,Store in freezer, under -20°C
    9. Solubility: N/A
    10. PKA: 13.41±0.10(Predicted)
    11. CAS DataBase Reference: 5-ISOXAZOLEMETHANOL(CAS DataBase Reference)
    12. NIST Chemistry Reference: 5-ISOXAZOLEMETHANOL(127232-41-1)
    13. EPA Substance Registry System: 5-ISOXAZOLEMETHANOL(127232-41-1)
  • Safety Data

    1. Hazard Codes: Xi,Xn
    2. Statements: 22-41
    3. Safety Statements: 26-39
    4. WGK Germany:
    5. RTECS:
    6. HazardClass: N/A
    7. PackingGroup: N/A
    8. Hazardous Substances Data: 127232-41-1(Hazardous Substances Data)

127232-41-1 Usage

Uses

Used in Pharmaceutical Industry:
5-Isoxazolemethanol is used as a key intermediate in the synthesis of anti-inflammatory drugs, antibiotics, and antifungal agents. Its unique structure allows for the creation of a diverse range of therapeutic agents, contributing to the advancement of medical treatments.
Used in Organic Synthesis:
As a reagent, 5-Isoxazolemethanol is utilized in various organic synthesis processes, facilitating the formation of complex organic molecules. Its ability to participate in a wide array of chemical reactions makes it an indispensable tool in the field of organic chemistry.
Used in Chemical Reactions as a Solvent:
5-Isoxazolemethanol also serves as a solvent in numerous chemical reactions, enhancing the efficiency and selectivity of these processes. Its properties as a solvent are particularly beneficial in the synthesis of pharmaceutical compounds and other organic products.
Safety Precautions:
It is important to handle 5-Isoxazolemethanol with care, as it can pose hazards if ingested, inhaled, or comes into contact with the skin or eyes. Proper safety measures should be taken to minimize the risk of exposure and ensure the safe use of this compound in both research and industrial settings.

Check Digit Verification of cas no

The CAS Registry Mumber 127232-41-1 includes 9 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 6 digits, 1,2,7,2,3 and 2 respectively; the second part has 2 digits, 4 and 1 respectively.
Calculate Digit Verification of CAS Registry Number 127232-41:
(8*1)+(7*2)+(6*7)+(5*2)+(4*3)+(3*2)+(2*4)+(1*1)=101
101 % 10 = 1
So 127232-41-1 is a valid CAS Registry Number.
InChI:InChI=1/C4H5NO2/c6-2-4-1-5-3-7-4/h1,3,6H,2H2

127232-41-1SDS

SAFETY DATA SHEETS

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

Version: 1.0

Creation Date: Aug 20, 2017

Revision Date: Aug 20, 2017

1.Identification

1.1 GHS Product identifier

Product name Oxazol-5-ylmethanol

1.2 Other means of identification

Product number -
Other names 1,3-oxazol-5-ylmethanol

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:127232-41-1 SDS

127232-41-1Relevant articles and documents

Compounds and methods of use

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Page/Page column 517-518; 519, (2021/08/04)

Compounds are provided according to Formula (I): and pharmaceutically acceptable salts thereof, and pharmaceutical compositions thereof; wherein X1, X2, X3, X4, Y, A, L1, L2, R1, R2, R5, m and n are as defined herein. Compounds of the present invention are contemplated useful for the prevention and treatment of a variety of conditions.

AMINOPYRIDINE DERIVATIVES AS PHOSPHATIDYLINOSITOL PHOSPHATE KINASE INHIBITORS

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Paragraph 0747, (2019/07/13)

The invention relates to inhibitors of PI5P4K inhibitors useful in the treatment of cancers, neurodegenerative diseases, inflammatory disorders, and metabolic diseases, having the Formula: (I) where A, B, R1, X1, X2, and W are described herein.

Structure-based lead optimization to improve antiviral potency and ADMET properties of phenyl-1H-pyrrole-carboxamide entry inhibitors targeted to HIV-1 gp120

Curreli, Francesca,Belov, Dmitry S.,Kwon, Young Do,Ramesh, Ranjith,Furimsky, Anna M.,O'Loughlin, Kathleen,Byrge, Patricia C.,Iyer, Lalitha V.,Mirsalis, Jon C.,Kurkin, Alexander V.,Altieri, Andrea,Debnath, Asim K.

, p. 367 - 391 (2018/06/04)

We are continuing our concerted effort to optimize our first lead entry antagonist, NBD-11021, which targets the Phe43 cavity of the HIV-1 envelope glycoprotein gp120, to improve antiviral potency and ADMET properties. In this report, we present a structure-based approach that helped us to generate working hypotheses to modify further a recently reported advanced lead entry antagonist, NBD-14107, which showed significant improvement in antiviral potency when tested in a single-cycle assay against a large panel of Env-pseudotyped viruses. We report here the synthesis of twenty-nine new compounds and evaluation of their antiviral activity in a single-cycle and multi-cycle assay to derive a comprehensive structure-activity relationship (SAR). We have selected three inhibitors with the high selectivity index for testing against a large panel of 55 Env-pseudotyped viruses representing a diverse set of clinical isolates of different subtypes. The antiviral activity of one of these potent inhibitors, 55 (NBD-14189), against some clinical isolates was as low as 63 nM. We determined the sensitivity of CD4-binding site mutated-pseudoviruses to these inhibitors to confirm that they target HIV-1 gp120. Furthermore, we assessed their ADMET properties and compared them to the clinical candidate attachment inhibitor, BMS-626529. The ADMET data indicate that some of these new inhibitors have comparable ADMET properties to BMS-626529 and can be optimized further to potential clinical candidates.

As tyrosine kinase inhibitors substituted indolinone derivatives

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Paragraph 0323-0325, (2016/10/24)

The invention belongs to the technical field of a medicine, and particularly relates to a substituted indole ketone derivative as a tyrosine kinase inhibitor shown in a general formula (I), a pharmaceutically acceptable salt, a deuterated article or a stereoisomer thereof, wherein R1, R2, R3, R4, R5, R6, R7, R8, Ra, Rb, Rc, Rd, n, n1, n2, n3, n4, a ring A and a ring B are defined in the specification. The invention also relates to a preparation method of the compound, a drug preparation containing the compound, and application of the compound in preparation of a drug for preventing or treating a fibrosis disease and treating an excessive hyperplasia disease.

SUBSTITUTED THIAZOLE OR OXAZOLE P2X7 RECEPTOR ANTAGONISTS

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Page/Page column 35; 36, (2015/09/22)

The present invention refers to novel substituted thiazole and oxazole compounds of formula (I) having P2X7 receptor (P2X7) antagonistic properties. The compounds are useful in the treatment or prophylaxis of diseases associated with P2X7 receptor activity in animals, in particular humans.

HEPATITIS B CORE PROTEIN ALLOSTERIC MODULATORS

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Paragraph 000282, (2015/10/05)

ABSTRACT The present disclosure provides, in part, compounds having allosteric effector properties against Hepatitis B virus Cp. Also provided herein are methods of treating viral infections, such as hepatitis B, comprising administering to a patient in need thereof a disclosed compound.

SPIROHYDANTOIN COMPOUNDS AND THEIR USE AS SELECTIVE ANDROGEN RECEPTOR MODULATORS

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Page/Page column 91, (2013/09/12)

The present invention relates to a compound of formula (1-1 ) in free form or in pharmaceutically acceptable salt form in which the substituents are as defined in the specification; to its preparation, to its use as a medicament and to medicaments comprising it. The present invention further provides a combination of pharmacologically active agents and a pharmaceutical composition.

Highly enantioselective mukaiyama aldol reactions catalyzed by a chiral oxazaborolidinium ion: Total synthesis of (-)-inthomycin C

Senapati, Bidyut Kumar,Gao, Lizhu,Lee, Sung Il,Hwang, Geum-Sook,Ryu, Do Hyun

supporting information; experimental part, p. 5088 - 5091 (2011/01/05)

A cationic oxazaborolidinium-catalyzed asymmetric Mukaiyama aldol reaction of (1-methoxy-2-methyl-propenyloxy)-trimethylsilane with various aldehydes including α,β-disubstituted acroleins has been developed in high yields and enantioselectivities. The synthetic utility of this methodology was demonstrated in the first short synthesis of naturally occurring inthomycin C in high enantiopurity.

Chemical Compounds

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Page/Page column 50, (2009/07/17)

This invention relates to non-steroidal compounds that are modulators of androgen, glucocorticoid, mineralocorticoid, and progesterone receptors, and also to the methods for the making and use of such compounds.

Total synthesis of the potent antifungal agents bengazole C and E

Enriquez-Garcia, Alvaro,Ley, Steven V.

experimental part, p. 887 - 900 (2010/02/27)

The bengazoles are marine natural products with unique structure, containing two oxazole rings flanking a single carbon. They show very potent antifungal activity. The total syntheses of bengazole C and E are described following a convergent route which involves diastereoselective cycloaddition of an appropriately substituted nitrile oxide with a butane-1,2-diacetal-protected alkenediol as the key step.

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