ethyl 2-(4-bromo-2-formylphenoxy)acetate

Basic Information

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CAS Number

51336-47-1

Molecular Formula

C11H11BrO4

Molecular Weight

287.11 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Aldehydes

Basic Chemical Raw Materials Organic Chemicals Esters

Basic Chemical Raw Materials Organic Chemicals Ethers

Fine Chemicals Dyes and Pigments Organic Dyes

Fine Chemicals Surfactants Anionic Surfactants

Agricultural Chemicals Pesticides Herbicides

Basic Physical Properties

SMILES

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CCOC(=O)COC1=C(C=C(C=C1)Br)C=O

InChI

InChI=1S/C11H11BrO4/c1-2-15-11(14)7-16-10-4-3-9(12)5-8(10)6-13/h3-6H,2,7H2,1H3

InChIKey

QHGFILIGTMBUGQ-UHFFFAOYSA-N

LogP

2.2035

Topological Polar Surface Area

52.6 Å²

Hydrogen Bond Donor/Acceptor

0 / 4

Complexity

244

Synonyms & References

English

CS-0117357
(4-bromo-2-formylphenoxy)acetic acid ethyl ester
SCHEMBL1991262
ethyl (4-bromo-2-formylphenoxy)acetate
Z54066376
EN300-228123
BCA33647
FT-0734948
SR-01000236079
SR-01000236079-1
4-Bromo-2-formylphenoxyacetic acid ethyl ester
Ethyl(4-bromo-2-formylphenoxy)Acetate
VS-07432
DTXSID20358196
QHGFILIGTMBUGQ-UHFFFAOYSA-N
ethyl 2-(4-bromo-2-formylphenoxy)acetate
AKOS B005891
Oprea1_595155
51336-47-1
Oprea1_391603
AKOS000303830
AB00109226-01
MFCD02257419
Ethyl (4-bromo-2-formylphenoxy)acetate
Acetic acid, (4-bromo-2-formylphenoxy)-, ethyl ester
(4-bromo-2-formylphenoxy)-acetic acid ethyl ester
2-formyl-4-bromophenoxyacetic acid ethyl ester
ethyl-2-formyl-4-bromophenoxy acetate

MDL Number

MFCD02257419

Customs Code

2918990090

FAQ

What are the physical and chemical properties of ethyl 2-(4-bromo-2-formylphenoxy)acetate (CAS: 51336-47-1)?

Ethyl 2-(4-bromo-2-formylphenoxy)acetate (CAS: 51336-47-1) is a crystalline solid with a molecular weight of approximately 349.96 g/mol. It has a low solubility in water but is more soluble in organic solvents like methanol and ethanol. This compound is highly reactive due to the presence of the formyl group and bromine substituent, making it prone to nucleophilic and electrophilic reactions.

How is ethyl 2-(4-bromo-2-formylphenoxy)acetate (CAS: 51336-47-1) typically synthesized?

Ethyl 2-(4-bromo-2-formylphenoxy)acetate is typically synthesized by the condensation of ethyl 2-(4-bromo-2-hydroxyphenoxy)acetate with formaldehyde in the presence of a strong acid catalyst such as sulfuric acid. The reaction is conducted under reflux conditions with a yield of around 85%. The reaction is selective and proceeds smoothly under mild conditions.

What industries use ethyl 2-(4-bromo-2-formylphenoxy)acetate (CAS: 51336-47-1)?

Ethyl 2-(4-bromo-2-formylphenoxy)acetate (CAS: 51336-47-1) is used in the pharmaceutical industry for the synthesis of certain organic compounds and intermediates. It is also utilized in the polymer industry for the modification of polymers, and in the chemical sensing sector for the development of new sensing materials. Additionally, it has potential applications in the semiconductor industry as a dopant.

What precautions should be taken when handling ethyl 2-(4-bromo-2-formylphenoxy)acetate (CAS: 51336-47-1)?

When handling ethyl 2-(4-bromo-2-formylphenoxy)acetate (CAS: 51336-47-1), it is essential to wear appropriate personal protective equipment (PPE) including gloves, goggles, and a lab coat. The compound should be stored in a fume hood to minimize exposure. In case of a spill, it should be cleaned up immediately using appropriate absorbent materials. Always consult the Safety Data Sheet (SDS) for specific handling and disposal guidelines.