5-METHYL-3-PHENYL-4-ISOXAZOLYLCARBONYL CHLORIDE

Details

Stereochemistry	ACHIRAL
Molecular Formula	C11H8ClNO2
Molecular Weight	221.64
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 5-METHYL-3-PHENYL-4-ISOXAZOLYLCARBONYL CHLORIDE

Structure Search

SMILES

CC1=C(C(Cl)=O)C(=NO1)C2=CC=CC=C2

InChI

InChIKey=HXEVQMXCHCDPSO-UHFFFAOYSA-N

InChI=1S/C11H8ClNO2/c1-7-9(11(12)14)10(13-15-7)8-5-3-2-4-6-8/h2-6H,1H3

HIDE SMILES / InChI

Molecular Formula	C11H8ClNO2
Molecular Weight	221.64
Charge	0
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	0
Optical Activity	NONE

Description
Sources: https://www.ncbi.nlm.nih.gov/pubmed/25255195
Curator's Comment: The description was created based on several sources, including https://goo.gl/3Mt85c

5-Methyl-3-phenyl-4-isoxazolylcarbonyl chloride is an intermediate for the synthesis of synthetic penicillins. 5-Methyl-3-phenyl-4-isoxazolylcarbonyl chloride can be prepared by the reaction of 5-methyl-3-phenyl-4-isoxazolecarboxylic acid (II) with thionyl chloride in the presence of DMF.

Originator

Approval Year

Conditions

Condition	Modality	Targets	Highest Phase	Product
Unknown 2596

PubMed

Title	Date	PubMed
The development of a nucleus staining fluorescent probe for dynamic mitosis imaging in live cells.	2015-06-07	25960154

Patents

Sample Use Guides

In Vivo Use Guide

Unknown

Route of Administration: Unknown

In Vitro Use Guide

Unknown

Substance Class	Chemical Created by `admin` on `Mon Mar 31 18:07:32 GMT 2025` Edited by `admin` on `Mon Mar 31 18:07:32 GMT 2025`
Record UNII	97OT2T1W6V
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

3-PHENYL-5-METHYL-4-ISOXAZOLECARBONYL CHLORIDE

Preferred Name

English

5-METHYL-3-PHENYL-4-ISOXAZOLYLCARBONYL CHLORIDE

Systematic Name

English

4-ISOXAZOLECARBONYL CHLORIDE, 5-METHYL-3-PHENYL-

Systematic Name

English

Code System Code Type Description

CAS

16883-16-2