Diethyl 2-(3,5-diiodo-4-(4-methoxyphenoxy)benzyl)malonate

Basic Information

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CAS Number

94861-76-4

Molecular Formula

C21H22I2O6

Molecular Weight

624.2 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

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)C(CC1=CC(=C(C(=C1)I)OC2=CC=C(C=C2)OC)I)C(=O)OCC

InChI

InChI=1S/C21H22I2O6/c1-4-27-20(24)16(21(25)28-5-2)10-13-11-17(22)19(18(23)12-13)29-15-8-6-14(26-3)7-9-15/h6-9,11-12,16H,4-5,10H2,1-3H3

InChIKey

OJVCQVQZENDYOD-UHFFFAOYSA-N

LogP

4.981600000000005

Topological Polar Surface Area

71.06000000000002 Å²

Hydrogen Bond Donor/Acceptor

0 / 6

Complexity

493

Synonyms & References

English

AKOS015919376
94861-76-4
[3,5-Diiodo-4-(p-methoxyphenoxy)benzyl]-malonic acid diethyl ester
A845118
diethyl 2-[[3,5-diiodo-4-(4-methoxyphenoxy)phenyl]methyl]propanedioate
FT-0654714
diethyl2-(3,5-diiodo-4-(4-methoxyphenoxy)benzyl)malonate
F11908
DTXSID40657951
Diethyl {[3,5-diiodo-4-(4-methoxyphenoxy)phenyl]methyl}propanedioate
diethyl 2-(3,5-diiodo-4-(4-methoxyphenoxy)benzyl)malonate
Diethyl 2-(3,5-diiodo-4-(4-methoxyphenoxy)benzyl)malonate
Diethyl 2-(3,5-diiodo-4-(4-methoxyphenoxy)benzyl)malote

MDL Number

MFCD18074450

FAQ

What are the physical and chemical properties of Diethyl 2-(3,5-diiodo-4-(4-methoxyphenoxy)benzyl)malonate (CAS: 94861-76-4)?

Diethyl 2-(3,5-diiodo-4-(4-methoxyphenoxy)benzyl)malonate is a crystalline compound with a high molecular weight. It has low solubility in water but is soluble in organic solvents. The compound is highly reactive due to the presence of iodine and phenolic groups. It exhibits poor reactivity with common organic reagents but can undergo specific transformations under controlled conditions.

How is Diethyl 2-(3,5-diiodo-4-(4-methoxyphenoxy)benzyl)malonate (CAS: 94861-76-4) typically synthesized?

Diethyl 2-(3,5-diiodo-4-(4-methoxyphenoxy)benzyl)malonate is typically synthesized through a multi-step process involving the iodination of a benzylmalonate precursor and subsequent coupling with 4-methoxyphenol. The reaction involves the use of Lewis acids as catalysts and is carried out in anhydrous conditions to achieve high yield and selectivity.

What industries use Diethyl 2-(3,5-diiodo-4-(4-methoxyphenoxy)benzyl)malonate (CAS: 94861-76-4)?

Diethyl 2-(3,5-diiodo-4-(4-methoxyphenoxy)benzyl)malonate is used in the pharmaceutical industry for the synthesis of certain medicinal compounds. It may also find applications in the polymer industry for modifying polymer properties and in the sensor technology for developing specific detection systems.

What precautions should be taken when handling Diethyl 2-(3,5-diiodo-4-(4-methoxyphenoxy)benzyl)malonate (CAS: 94861-76-4)?

When handling Diethyl 2-(3,5-diiodo-4-(4-methoxyphenoxy)benzyl)malonate, it is essential to wear appropriate personal protective equipment (PPE), including gloves and safety goggles. Work should be conducted in a well-ventilated fume hood to minimize exposure to vapors. Spills should be cleaned up promptly using appropriate absorbents, and the material safety data sheet (MSDS) should be consulted for specific handling and disposal instructions.

Related Compounds

1,3-Dibromo-2,4-dichloro-5-fluorobenzene structure

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Compound Q&A

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Compound Q&A

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Compound Q&A

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Diethyl 2-(3,5-diiodo-4-(4-methoxyphenoxy)benzyl)malonate | CAS No. 94861-76-4

Basic Information

CAS Number

Molecular Formula

Molecular Weight

Chemical Classification

Basic Physical Properties

Chemical Properties

SMILES

InChI

InChIKey

LogP

Topological Polar Surface Area

Hydrogen Bond Donor/Acceptor

Complexity

Synonyms & References

English

MDL Number

FAQ

What are the physical and chemical properties of Diethyl 2-(3,5-diiodo-4-(4-methoxyphenoxy)benzyl)malonate (CAS: 94861-76-4)?

How is Diethyl 2-(3,5-diiodo-4-(4-methoxyphenoxy)benzyl)malonate (CAS: 94861-76-4) typically synthesized?

What industries use Diethyl 2-(3,5-diiodo-4-(4-methoxyphenoxy)benzyl)malonate (CAS: 94861-76-4)?

What precautions should be taken when handling Diethyl 2-(3,5-diiodo-4-(4-methoxyphenoxy)benzyl)malonate (CAS: 94861-76-4)?

Related Compounds

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