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6-CHLORO-3,4-DIHYDRO-2H-BENZO[1,4]OXAZINE-2-CARBOXYLIC ACID ETHYL ESTER is a chemical compound that belongs to the class of carboxylic acid ethyl esters. It features a chloro and oxazine functional group, and is utilized as an intermediate in the pharmaceutical industry for the synthesis of various drugs. 6-CHLORO-3,4-DIHYDRO-2H-BENZO[1,4]OXAZINE-2-CARBOXYLIC ACID ETHYL ESTER possesses potential biological activity and is under investigation for its possible application as a medicinal agent. Due to its potential hazardous properties, it is crucial to handle this chemical with care and in compliance with safety protocols.

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  • 6-CHLORO-3,4-DIHYDRO-2H-BENZO[1,4]OXAZINE-2-CARBOXYLIC ACID ETHYL ESTER

    Cas No: 68281-43-6

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  • 68281-43-6 Structure
  • Basic information

    1. Product Name: 6-CHLORO-3,4-DIHYDRO-2H-BENZO[1,4]OXAZINE-2-CARBOXYLIC ACID ETHYL ESTER
    2. Synonyms: ETHYL 6-CHLORO-3,4-DIHYDRO-2H-1,4-BENZOXAZINE-2-CARBOXYLATE;6-CHLORO-3,4-DIHYDRO-2H-BENZO[1,4]OXAZINE-2-CARBOXYLIC ACID ETHYL ESTER;Ethyl 6-chloro-3,4-dihydro-2H-benzo[b][1,4]oxazine-2-carboxylate
    3. CAS NO:68281-43-6
    4. Molecular Formula: C11H12ClNO3
    5. Molecular Weight: 241.67
    6. EINECS: N/A
    7. Product Categories: N/A
    8. Mol File: 68281-43-6.mol
  • Chemical Properties

    1. Melting Point: 84-85°
    2. Boiling Point: 353.4°C at 760 mmHg
    3. Flash Point: 167.5°C
    4. Appearance: /
    5. Density: 1.275g/cm3
    6. Vapor Pressure: 3.59E-05mmHg at 25°C
    7. Refractive Index: 1.538
    8. Storage Temp.: N/A
    9. Solubility: N/A
    10. PKA: 2.48±0.40(Predicted)
    11. CAS DataBase Reference: 6-CHLORO-3,4-DIHYDRO-2H-BENZO[1,4]OXAZINE-2-CARBOXYLIC ACID ETHYL ESTER(CAS DataBase Reference)
    12. NIST Chemistry Reference: 6-CHLORO-3,4-DIHYDRO-2H-BENZO[1,4]OXAZINE-2-CARBOXYLIC ACID ETHYL ESTER(68281-43-6)
    13. EPA Substance Registry System: 6-CHLORO-3,4-DIHYDRO-2H-BENZO[1,4]OXAZINE-2-CARBOXYLIC ACID ETHYL ESTER(68281-43-6)
  • Safety Data

    1. Hazard Codes: N/A
    2. Statements: N/A
    3. Safety Statements: N/A
    4. WGK Germany:
    5. RTECS:
    6. HazardClass: IRRITANT
    7. PackingGroup: N/A
    8. Hazardous Substances Data: 68281-43-6(Hazardous Substances Data)

68281-43-6 Usage

Uses

Used in Pharmaceutical Industry:
6-CHLORO-3,4-DIHYDRO-2H-BENZO[1,4]OXAZINE-2-CARBOXYLIC ACID ETHYL ESTER is used as a chemical intermediate for the synthesis of various drugs, contributing to the development of new medicinal compounds.
Used in Medicinal Chemistry Research:
6-CHLORO-3,4-DIHYDRO-2H-BENZO[1,4]OXAZINE-2-CARBOXYLIC ACID ETHYL ESTER is being studied for its potential biological activity, with the aim of discovering its possible use as a medicinal agent, which could lead to advancements in therapeutic treatments.

Check Digit Verification of cas no

The CAS Registry Mumber 68281-43-6 includes 8 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 5 digits, 6,8,2,8 and 1 respectively; the second part has 2 digits, 4 and 3 respectively.
Calculate Digit Verification of CAS Registry Number 68281-43:
(7*6)+(6*8)+(5*2)+(4*8)+(3*1)+(2*4)+(1*3)=146
146 % 10 = 6
So 68281-43-6 is a valid CAS Registry Number.
InChI:InChI=1/C11H12ClNO3/c1-2-15-11(14)10-6-13-8-5-7(12)3-4-9(8)16-10/h3-5,10,13H,2,6H2,1H3

68281-43-6SDS

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 6-chloro-3,4-dihydro-2H-1,4-benzoxazine-2-carboxylate

1.2 Other means of identification

Product number -
Other names ethyl 6-chloro-3,4-dihydro-2H-1,4-benzoxazine-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:68281-43-6 SDS

68281-43-6Relevant articles and documents

SUBSTITUTED CYCLOLAKYLS AS MODULATORS OF THE INTEGRATED STRESS PATHWAY

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Page/Page column 186, (2020/11/12)

Provided herein are compounds, compositions, and methods useful for modulating the integrated stress response (ISR) and for treating related diseases, disorders and conditions.

Benzo six-membered nitrogen heterocyclic compound, preparation method and applications

-

Paragraph 0152-0153, (2019/10/01)

The present invention provides a benzo six-membered nitrogen heterocyclic compound, a preparation method and applications, wherein the benzo six-membered nitrogen heterocyclic compound has a structurerepresented by a formula I or formula II, and can effectively inhibit the bromine domain receptor and effectively inhibit the proliferation of cancer cells. Compared with the existing reported structure types, the compound of the present invention has different binding mode, has high inhibitory activity, can be used as a drug for treating cancer, cell proliferation disorders, inflammatory diseases, autoimmune diseases, septicemia and viral infections, and has good application prospects and high application value.

MODULATORS OF THE INTEGRATED STRESS PATHWAY

-

Page/Page column 151, (2019/05/22)

Provided herein are compounds of formula (I), compositions, and methods useful for modulating the integrated stress response (ISR) and for treating related diseases, disorders and conditions. (Formula I).

MODULATORS OF THE INTEGRATED STRESS PATHWAY

-

Page/Page column 170, (2019/05/22)

Provided herein are compounds, compositions, and methods useful for modulating the integrated stress response (ISR) and for treating related diseases; disorders and conditions.

Aggrecanase-2 inhibitors based on the acylthiosemicarbazide zinc-binding group

Maingot, Lucie,Elbakali, Jamal,Dumont, Julie,Bosc, Damien,Cousaert, Nicolas,Urban, Agathe,Deglane, Gaelle,Villoutreix, Bruno,Nagase, Hideaki,Sperandio, Olivier,Leroux, Florence,Deprez, Benoit,Deprez-Poulain, Rebecca

, p. 244 - 261 (2013/10/01)

Osteoarthritis is a disabling disease characterized by the articular cartilage breakdown. Aggrecanases are potential therapeutic targets for the treatment of this pathology. At the starting point of this project, an acylthiosemicarbazide was discovered to inhibit aggrecanase-2. The acylthiosemicarbazide Zn binding group is also a convenient linker for library synthesis. A focused library of 920 analogs was thus prepared and screened to establish structure-activity relationships. The modification of the acylthiosemicarbazide was also explored. This strategy combining library design and discrete compounds synthesis yielded inhibitor 35, that is highly selective for aggrecanases over a panel of metalloproteases and inhibits the degradation of native fully glycosylated aggrecan. A docking study generated binding conformations explaining the structure-activity relationships.

New non-hydroxamic ADAMTS-5 inhibitors based on the 1,2,4-triazole-3-thiol scaffold

Maingot, Lucie,Leroux, Florence,Landry, Valérie,Dumont, Julie,Nagase, Hideaki,Villoutreix, Bruno,Sperandio, Olivier,Deprez-Poulain, Rebecca,Deprez, Benoit

supporting information; experimental part, p. 6213 - 6216 (2010/11/19)

In this Letter we describe the design, synthesis, screening, and optimization of a new family of ADAMTS-5 inhibitors. These inhibitors display an original 1,2,4-triazole-3-thiol scaffold as a putative zinc binding-group. In vitro results are rationalized

Synthesis and biological evaluation of new 2-(4,5-dihydro-1H-imidazol-2-yl)-3,4-dihydro-2H-1,4-benzoxazine derivatives

Touzeau, Frédérique,Arrault, Axelle,Guillaumet, Gérald,Scalbert, Elizabeth,Pfeiffer, Bruno,Rettori, Marie-Claire,Renard, Pierre,Mérour, Jean-Yves

, p. 1962 - 1979 (2007/10/03)

2-(4,5-Dihydro-1H-imidazol-2-yl)-3,4-dihydro-2H-1,4-benzoxazine derivatives and tricyclic analogues with a fused additional ring on the nitrogen atom of the benzoxazine moiety have been prepared and evaluated for their cardiovascular effects as potential antihypertensive agents. The imidazoline ring was generated by reaction of the corresponding ethyl ester with ethylenediamine. Affinities for imidazoline binding sites (IBS) I1 and I2 and α1 and α2 adrenergic receptors were evaluated as well as the effects on mean arterial blood pressure (MAP) and heart rate (HR) of spontaneously hypertensive rats. With few exceptions the most active compounds on MAP were those with high affinities for IBS and α2 receptor. Among these, compound 4h was the most interesting and is now, together with its enantiomers, under complementary pharmacological evaluation.

A straightforward route to 4H-1,4-benzoxazine-2-carbaldehydes by Swern oxidation

Bourlot, Anne-Sophie,Guillaumet, Gerald,Merour, Jean-Yves

, p. 191 - 196 (2007/10/03)

Swern oxidation of saturated (1,4-benzoxazine-2-yl)-methanols 2 furnished 4H-1,4-benzoxazine-2-carbaldehydes 3, which possess an α,β ethylenic bond. The reactivity of these compounds was examined.

Lipogenesis control by esters of benzoxazinecarboxylic acids

-

, (2008/06/13)

Lipogenesis in mammals is inhibited by esters of 3,4-dihydro-2H-1,4-benzoxazine-2-carboxylic acids.

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