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Ethyl 5-(3-chlorophenyl)oxazole-2-carboxylate, also known as ethyl 5-(3-chlorophenyl)isoxazole-2-carboxylate, is a synthetic organic compound with the molecular formula C12H10ClNO3. It belongs to the oxazole class of chemicals and is characterized by its potential biological activity. Ethyl 5-(3-chlorophenyl)oxazole-2-carboxylate is recognized for its role as an intermediate in the production of pharmaceuticals and agrochemicals, and it has been studied for its potential as an anticonvulsant and antitumor agent. Furthermore, it serves as a building block in the synthesis of various biologically active compounds, highlighting its versatility in the field of medicinal chemistry.

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  • 400715-69-7 Structure
  • Basic information

    1. Product Name: Ethyl 5-(3-chlorophenyl)oxazole-2-carboxylate
    2. Synonyms: Ethyl 5-(3-chlorophenyl)oxazole-2-carboxylate
    3. CAS NO:400715-69-7
    4. Molecular Formula: C12H10ClNO3
    5. Molecular Weight: 251.6657
    6. EINECS: N/A
    7. Product Categories: N/A
    8. Mol File: 400715-69-7.mol
  • Chemical Properties

    1. Melting Point: N/A
    2. Boiling Point: N/A
    3. Flash Point: N/A
    4. Appearance: /
    5. Density: N/A
    6. Refractive Index: N/A
    7. Storage Temp.: Sealed in dry,Room Temperature
    8. Solubility: N/A
    9. CAS DataBase Reference: Ethyl 5-(3-chlorophenyl)oxazole-2-carboxylate(CAS DataBase Reference)
    10. NIST Chemistry Reference: Ethyl 5-(3-chlorophenyl)oxazole-2-carboxylate(400715-69-7)
    11. EPA Substance Registry System: Ethyl 5-(3-chlorophenyl)oxazole-2-carboxylate(400715-69-7)
  • 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: 400715-69-7(Hazardous Substances Data)

400715-69-7 Usage

Uses

Used in Pharmaceutical Industry:
Ethyl 5-(3-chlorophenyl)oxazole-2-carboxylate is used as an intermediate in the synthesis of pharmaceuticals for its potential biological activity. Its role in creating new drugs is significant due to its ability to be a part of the molecular structure of potential anticonvulsant and antitumor agents.
Used in Agrochemical Industry:
In the agrochemical sector, Ethyl 5-(3-chlorophenyl)oxazole-2-carboxylate is utilized as an intermediate in the production of agrochemicals, contributing to the development of compounds that can be used in pest control and crop protection.
Used in Medicinal Chemistry Research:
Ethyl 5-(3-chlorophenyl)oxazole-2-carboxylate is used as a building block in the synthesis of biologically active compounds for research purposes. Its structural properties make it a valuable component in the creation of novel molecules with potential therapeutic applications.
Used in Drug Development:
Ethyl 5-(3-chlorophenyl)oxazole-2-carboxylate is employed in drug development for its potential as an anticonvulsant and antitumor agent. Its incorporation into new molecular entities is driven by its capacity to modulate biological pathways associated with these conditions, offering new treatment options for patients.

Check Digit Verification of cas no

The CAS Registry Mumber 400715-69-7 includes 9 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 6 digits, 4,0,0,7,1 and 5 respectively; the second part has 2 digits, 6 and 9 respectively.
Calculate Digit Verification of CAS Registry Number 400715-69:
(8*4)+(7*0)+(6*0)+(5*7)+(4*1)+(3*5)+(2*6)+(1*9)=107
107 % 10 = 7
So 400715-69-7 is a valid CAS Registry Number.

400715-69-7SDS

SAFETY DATA SHEETS

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

Version: 1.0

Creation Date: Aug 18, 2017

Revision Date: Aug 18, 2017

1.Identification

1.1 GHS Product identifier

Product name ethyl 5-(3-chlorophenyl)-1,3-oxazole-2-carboxylate

1.2 Other means of identification

Product number -
Other names Ethyl 5-(3-chlorophenyl)oxazole-2-carboxylate

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:400715-69-7 SDS

400715-69-7Downstream Products

400715-69-7Relevant articles and documents

I2-Promoted formal [3+2] cycloaddition of α-methylenyl isocyanides with methyl ketones: a route to 2,5-disubstituted oxazoles

Wu, Xia,Geng, Xiao,Zhao, Peng,Zhang, Jingjing,Wu, Yan-dong,Wu, An-xin

supporting information, p. 3438 - 3441 (2017/03/29)

An I2-promoted formal [3+2] cycloaddition for access to oxazoles has been demonstrated. This is the first example of a Lewis acid-promoted formal [3+2] cycloaddition of isocyanides with methyl ketones involving the C≡N cleavage of isocyanides. The salient feature of this approach is unconventional 2,5-disubstituted oxazole formation from isocyanides and ketones rather than 4,5-substituted oxazoline.

Azabicyclic-substituted-heteroaryl compounds for the treatment of disease

-

, (2008/06/13)

The invention provides compounds of Formula I: Azabicyclo-N(R1)—C(═X)—W??Formula I These compounds may be in the form of pharmaceutical salts or compositions, racemic mixtures, or pure enantiomers thereof. The compounds of Formula I are useful

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