Methyl 3-oxo-3,4-dihydro-2H-1,4-benzoxazine-7-carboxylate

Basic Information

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CAS Number

142166-00-5

Molecular Formula

C10H9NO4

Molecular Weight

207.18 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Esters

Basic Chemical Raw Materials Organic Chemicals Ethers

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Fine Chemicals Dyes and Pigments Organic Dyes

Basic Physical Properties

Melting Point

253-255 ºC (hexane )

Density

1.313±0.06 g/cm3 (20 ºC 760 Torr),

SMILES

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COC(=O)C1=CC2=C(C=C1)NC(=O)CO2

InChI

InChI=1S/C10H9NO4/c1-14-10(13)6-2-3-7-8(4-6)15-5-9(12)11-7/h2-4H,5H2,1H3,(H,11,12)

InChIKey

HBGXBRNLTSFTIG-UHFFFAOYSA-N

LogP

0.8040999999999998

Topological Polar Surface Area

64.63 Å²

Hydrogen Bond Donor/Acceptor

1 / 5

Complexity

279

Safety Information

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Hazard Class

Class IRRITANT Class IRRITANT

Synonyms & References

English

SCHEMBL303909
Methyl 3-oxo-4H-1,4-benzoxazine-7-carboxylate
Methyl3-Oxo-3,4-dihydro-2H-1,4-benzoxazine-7-carboxylate
CS-W000707
GC-0720
methyl 3-oxo-3,4-dihydro-2H-1,4-benzoxazine-7- carboxylate
DTXSID20445712
methyl 3-oxo-3,4-dihydro-2H-1,4-benzoxazine-7-carboxylate
7-methoxycarbonyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazine
3-Oxo-3,4-dihydro-2H-benzo[1,4]oxazine-7-carboxylic acid methyl ester
Methyl 3-Oxo-3 pound not4-dihydro-2H-1 pound not4-benzoxazine-7-carboxylate
A850006
AKOS005072612
AM803208
5-chloro-2,3-dihydro-benzofuran-3-ylaminehydrochloride
MB04718
methyl 3-oxo-3,4-dihydro-2H-benzo[b][1,4]oxazine-7-carboxylate
2H-1,4-BENZOXAZINE-7-CARBOXYLIC ACID, 3,4-DIHYDRO-3-OXO-, METHYL ESTER
Methyl 3-oxo-2,4-dihydro-1,4-benzoxazine-7-carboxylate
142166-00-5
FT-0681011
SY028206
J-522205
HBGXBRNLTSFTIG-UHFFFAOYSA-N
MFCD07774184
Methyl 3-oxo-3,4-dihydro-2H-benzo[b][1,4]oxazine-7-carboxylate
2H-1,4-Benzoxazine-7-carboxylicacid, 3,4-dihydro-3-oxo-, methyl ester
methyl 3-oxo-4H-1,4-benzoxazine-7-carboxylate
methyl 3-oxo-3,4-dihydro-2H-1,4,benzoxazin-7-carboxylate
Methyl 3-Oxo-3,4-dihydro-2H-1,4-benzoxazine-7-carboxylate
methyl 3-oxo-3,4-dihydro-2H-1,4-benzoxazine-7-carboxylate(SALTDATA: FREE)

MDL Number

MFCD07774184

Customs Code

2934999090

FAQ

What regulatory guidelines apply to Methyl 3-oxo-3,4-dihydro-2H-1,4-benzoxazine-7-carboxylate (CAS: 142166-00-5)?

Methyl 3-oxo-3,4-dihydro-2H-1,4-benzoxazine-7-carboxylate (CAS: 142166-00-5) is subject to various regulatory guidelines. It falls under the GHS classification system for hazardous chemicals. In Europe, it must comply with REACH regulations, which cover the registration, evaluation, authorization, and restriction of chemicals. For use in the United States, FDA and EPA guidelines must also be adhered to, including proper labeling and handling to prevent environmental contamination.

Are there alternatives to Methyl 3-oxo-3,4-dihydro-2H-1,4-benzoxazine-7-carboxylate in synthesis?

Yes, there are alternative reagents used in the synthesis of similar compounds. For instance, methyl 3-oxo-3,4-dihydro-2H-1,4-benzoxazine-7-carboxylate (CAS: 142166-00-5) can be synthesized using 3-oxo-3,4-dihydro-2H-1,4-benzoxazine-7-carboxylic acid and methyl chloroformate as a more straightforward method. Other alternatives include using different carboxylic acids and various esters to achieve similar functional groups.

What is the market or research trend for Methyl 3-oxo-3,4-dihydro-2H-1,4-benzoxazine-7-carboxylate (CAS: 142166-00-5)?

The market for Methyl 3-oxo-3,4-dihydro-2H-1,4-benzoxazine-7-carboxylate (CAS: 142166-00-5) is growing due to its applications in pharmaceuticals and organic synthesis. Research trends are focusing on its use as a building block for complex molecules and as an intermediate in drug development. Additionally, there is increasing interest in its potential use in agrochemicals and as a flavor and fragrance compound.

How should waste containing Methyl 3-oxo-3,4-dihydro-2H-1,4-benzoxazine-7-carboxylate (CAS: 142166-00-5) be handled?

Waste containing Methyl 3-oxo-3,4-dihydro-2H-1,4-benzoxazine-7-carboxylate (CAS: 142166-00-5) should be collected in a sealed container and disposed of through a professional hazardous waste disposal service. Environmental precautions include ensuring that the waste does not come into contact with water or air to prevent environmental contamination. Incineration is a common method for disposal, but it must be conducted in facilities that comply with local and national regulations to minimize environmental impact.