(2E)-4-(3,4-dimethoxyphenyl)-4-oxobut-2-enoic acid

Basic Information

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CAS Number

80937-23-1

Molecular Formula

C12H12O5

Molecular Weight

236.22 g/mol

EINECS

279-631-0

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Ketones

Basic Chemical Raw Materials Organic Chemicals Ethers

Fine Chemicals Dyes and Pigments Organic Dyes

Fine Chemicals Surfactants Anionic Surfactants

Basic Physical Properties

Melting Point

181 °C

Boiling Point

422.1±45.0 °C(Predicted)

Density

1.241±0.06 g/cm3(Predicted)

SMILES

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COc1ccc(cc1OC)C(=O)/C=C/C(=O)O

InChI

InChI=1S/C12H12O5/c1-16-10-5-3-8(7-11(10)17-2)9(13)4-6-12(14)15/h3-7H,1-2H3,(H,14,15)/b6-4+

InChIKey

QUWWWXPLUJFEHM-GQCTYLIASA-N

LogP

1.5273

pKa

3.18±0.10(Predicted)

Topological Polar Surface Area

72.83 Å²

Hydrogen Bond Donor/Acceptor

1 / 5

Synonyms & References

English

4-(3,4-dimethoxyphenyl)-4-hydroxy-2-butenoic acid ethyl ester
VAC
(E)ETHYL 4-(3,4-DIMETHOXYPHENYL)-4-OXO-2-BUTENOATE
Ethyl 4-(3,4-dimethoxyphenyl)-4-oxycrotonate
4-(3,4-dimethoxyphenyl)-4-oxocrotonic acid
(E)4-(3,4-dimethyoxyphenyl)-4-oxo-2-butenoate
(E)Ethyl 4-(3,4-dimethoxyphenyl)-4-oxo-2-butenoate (VAC)
(E)-ethyl 4-(3,4-dimethoxyphenyl)-4-oxobut-2-enoate
(E)-Ethyl 4-(3,4-dimethoxyphenyl)-4-oxo-2-butenoate
(E)-4-(3,4-Dimethoxyphenyl)-4-oxo-2-butenoic acid
(E)Ethyl4-(3,4-dimethoxyphenyl
3-(3,4-dimethoxybenzoyl)acrylic acid
4-(3,4-dimethoxyphenyl)-4-oxo-2-butenoic acid
4-oxo-4-(3.4-dimethoxy-phenyl)-trans-crotonic acid
4-Oxo-4-(3.4-dimethoxy-phenyl)-trans-crotonsaeure
(E)-4-(3,4-dimethoxyphenyl)-4-oxocrotonic acid ethyl aster
(2E)-4-(3,4-dimethoxyphenyl)-4-oxobut-2-enoic acid

MDL Number

MFCD01656414

EC Number

279-631-0

Customs Code

2918990090

FAQ

What regulatory guidelines apply to (2E)-4-(3,4-dimethoxyphenyl)-4-oxobut-2-enoic acid (CAS: 80937-23-1)?

Regulatory guidelines for (2E)-4-(3,4-dimethoxyphenyl)-4-oxobut-2-enoic acid (CAS: 80937-23-1) include GHS classification, which categorizes it as a hazardous substance based on its physical and chemical properties. REACH regulations in the European Union require manufacturers and importers to register substances above a certain tonnage threshold. FDA and EPA have specific requirements for the handling and disposal of this compound, particularly focusing on environmental safety and human health protection.

Are there alternatives to (2E)-4-(3,4-dimethoxyphenyl)-4-oxobut-2-enoic acid in synthesis?

In the synthesis of (2E)-4-(3,4-dimethoxyphenyl)-4-oxobut-2-enoic acid (CAS: 80937-23-1), there are alternative reagents that can be used, such as other carboxylic acids or their derivatives. Isomers and analogs like (2Z)-4-(3,4-dimethoxyphenyl)-4-oxobut-2-enoic acid can also be considered. These alternatives can offer similar functionalities but with different reactivity and ease of synthesis.

What is the market or research trend for (2E)-4-(3,4-dimethoxyphenyl)-4-oxobut-2-enoic acid (CAS: 80937-23-1)?

The market trend for (2E)-4-(3,4-dimethoxyphenyl)-4-oxobut-2-enoic acid (CAS: 80937-23-1) reflects increasing interest in its use in pharmaceutical and biotechnological applications. Research trends indicate a growing focus on its potential as a bioactive compound, with studies exploring its therapeutic properties and mechanisms of action. Additionally, there is a trend towards developing more sustainable synthesis methods and exploring its use in more environmentally friendly processes.

How should waste containing (2E)-4-(3,4-dimethoxyphenyl)-4-oxobut-2-enoic acid (CAS: 80937-23-1) be handled?

Waste containing (2E)-4-(3,4-dimethoxyphenyl)-4-oxobut-2-enoic acid (CAS: 80937-23-1) should be handled with care due to its potential environmental hazards. Waste liquids should be collected and stored in appropriate containers to prevent leaks. Incineration is a common method for disposing of such waste, but professional waste disposal services are recommended to ensure compliance with regulations. Environmental protection measures, such as minimizing water contamination, should be strictly followed to protect the environment.