(E)-4-(tert-Butoxy)-4-oxobut-2-enoic acid

Basic Information

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CAS Number

135355-96-3

Molecular Formula

C8H12O4

Molecular Weight

172.18 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 Physical Properties

SMILES

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CC(C)(C)OC(=O)C=CC(=O)O

InChI

InChI=1S/C8H12O4/c1-8(2,3)12-7(11)5-4-6(9)10/h4-5H,1-3H3,(H,9,10)/b5-4+

InChIKey

BAXKSCVINAKVNE-SNAWJCMRSA-N

LogP

0.9688999999999999

Topological Polar Surface Area

63.60000000000001 Å²

Hydrogen Bond Donor/Acceptor

1 / 4

Complexity

210

Synonyms & References

English

Fumaric Acid tert-Butyl Ester
Fumaric acid mono-tert-butyl ester
(E)-4-(tert-Butoxy)-4-oxobut-2-enoic acid
C8H12O4
AK315839
4-(TERT-BUTOXY)-4-OXOBUT-2-ENOIC ACID
(E)-4-[(2-methylpropan-2-yl)oxy]-4-oxobut-2-enoic acid
Fumaric acid mono-t-butyl ester
2-Butenedioic acid (2E)-, 1-(1,1-dimethylethyl) ester
BAXKSCVINAKVNE-SNAWJCMRSA-N
3911AD
(E)-4-tert-butoxy-4-oxo-but-2-enoic acid
A904792
AS-64842
4-(TERT-BUTOXY)-4-OXOBUT-2-ENOICACID
Fumaric Acid tert-Butyl Ester (>90%)
(2E)-4-(TERT-BUTOXY)-4-OXOBUT-2-ENOIC ACID
45022-27-3
SCHEMBL1964699
DB-254876
(E)-4-TERT-BUTOXY-4-OXOBUT-2-ENOIC ACID
120515-28-8
AKOS006289274
CS-0131262
Fumaric Acid Mono-Tert-Butyl Ester
(2E)-2-Butenedioic Acid Mono(1,1-dimethylethyl) Ester; (E)-4-tert-Butoxy-4-oxobut-2-enoic Acid
SCHEMBL642105
EN300-4285682
A1-50278
135355-96-3
MFCD08669525

MDL Number

MFCD08669525

FAQ

What regulatory guidelines apply to (E)-4-(tert-Butoxy)-4-oxobut-2-enoic acid (CAS: 135355-96-3)?

Regulatory guidelines for (E)-4-(tert-Butoxy)-4-oxobut-2-enoic acid (CAS: 135355-96-3) include GHS classification, REACH regulations, and FDA/EPA requirements. Manufacturers must follow these guidelines to ensure the safe handling, storage, and disposal of the compound. Proper labeling and documentation are mandatory to comply with international and national regulations.

Are there alternatives to (E)-4-(tert-Butoxy)-4-oxobut-2-enoic acid (CAS: 135355-96-3) in synthesis?

There are alternative reagents that can be used in synthesis instead of (E)-4-(tert-Butoxy)-4-oxobut-2-enoic acid (CAS: 135355-96-3). These include similar carboxylic acids or their derivatives. Isomers and analogs can also serve as viable alternatives depending on the specific reaction conditions and desired product structure.

What is the market or research trend for (E)-4-(tert-Butoxy)-4-oxobut-2-enoic acid (CAS: 135355-96-3)?

The market for (E)-4-(tert-Butoxy)-4-oxobut-2-enoic acid (CAS: 135355-96-3) is steadily growing, driven by its use in pharmaceuticals and chemical synthesis. Research trends focus on its application in drug development and as a key intermediate in organic synthesis. Industry demand is increasing as more applications are discovered, leading to potential price stability and increased market interest.

How should waste containing (E)-4-(tert-Butoxy)-4-oxobut-2-enoic acid (CAS: 135355-96-3) be handled?

Waste containing (E)-4-(tert-Butoxy)-4-oxobut-2-enoic acid (CAS: 135355-96-3) should be collected in appropriate containers and stored in a safe, secure location. Incineration or professional waste disposal services are recommended for safe disposal. Environmental protection measures, such as proper containment to prevent leaks or spills, are crucial to ensure compliance with regulatory standards and minimize environmental impact.