Ethyl N-acetyl-3,5-diiodo-O-(4-methoxyphenyl)tyrosinate

Basic Information

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CAS Number

83249-56-3

Molecular Formula

C20H21I2NO5

Molecular Weight

609.2 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)NC(=O)C

InChI

InChI=1S/C20H21I2NO5/c1-4-27-20(25)18(23-12(2)24)11-13-9-16(21)19(17(22)10-13)28-15-7-5-14(26-3)6-8-15/h5-10,18H,4,11H2,1-3H3,(H,23,24)

InChIKey

LCJKMEUFNHSFPB-UHFFFAOYSA-N

LogP

4.307000000000004

Topological Polar Surface Area

73.86000000000001 Å²

Hydrogen Bond Donor/Acceptor

1 / 6

Complexity

501

Synonyms & References

English

83249-56-3
ethyl 2-acetamido-3-[3,5-diiodo-4-(4-methoxyphenoxy)phenyl]propanoate
ZINC04974273
FT-0754962
Ethyl 2-acetamido-3-(3,5-diiodo-4-(4-methoxyphenoxy)phenyl)propanoate
ETHYL 3-[3,5-DIIODO-4-(4-METHOXYPHENOXY)PHENYL]-2-ACETAMIDOPROPANOATE
NSC97077
3,5-Diiodo-4-(4-methoxyphenoxy)-N-acetyl-L-phenylalanineethylester
A840540
ethyl 2-acetamido-3-[3,5-bis(iodanyl)-4-(4-methoxyphenoxy)phenyl]propanoate
Ethyl N-acetyl-3,5-diiodo-O-(4-methoxyphenyl)tyrosinate
DTXSID60329168
3,5-Diiodo-4-(p-methoxyphenoxy)-N-acetyl-L-phenylalanine ethyl ester
C20H21I2NO5
Ethyl2-acetamido-3-(3,5-diiodo-4-(4-methoxyphenoxy)phenyl)propanoate
beta-Elemene-D10
2-acetamido-3-[3,5-diiodo-4-(4-methoxyphenoxy)phenyl]propanoic acid ethyl ester
NSC-97077
3,5-Diiodo-4-(4-methoxyphenoxy)-N-acetyl-L-phenylalanine ethyl ester
AC-3,5-DIIODO-4-(4-METHOXYPHENOXY)-PHE-OET
3.5-Dijod-O'-methyl-N-acetyl-L-thyronin-aethylester
N-acetyl-3,5-diiodo-O'-methyl-L-thyronine ethyl ester
N-Acetyl-3,5-dijod-O'-methyl-L-thyronin-aethylester

MDL Number

MFCD00729047

Customs Code

2924299090

FAQ

What are the physical and chemical properties of Ethyl N-acetyl-3,5-diiodo-O-(4-methoxyphenyl)tyrosinate (CAS: 83249-56-3)?

Ethyl N-acetyl-3,5-diiodo-O-(4-methoxyphenyl)tyrosinate (CAS: 83249-56-3) is a crystalline solid with a molecular weight of approximately 530.24 g/mol. It has low solubility in water but dissolves well in organic solvents. This compound is reactive towards nucleophiles and exhibits photoreactivity. It has a pKa of around 2.5, indicating acidic behavior.

How is Ethyl N-acetyl-3,5-diiodo-O-(4-methoxyphenyl)tyrosinate (CAS: 83249-56-3) typically synthesized?

Ethyl N-acetyl-3,5-diiodo-O-(4-methoxyphenyl)tyrosinate is synthesized through a multi-step process involving the protection of tyrosine, acetylation, and iodination. Commonly, an iodine source and a Lewis acid catalyst are used to introduce the iodine atoms. The exact yield and selectivity depend on reaction conditions and the choice of reagents.

What industries use Ethyl N-acetyl-3,5-diiodo-O-(4-methoxyphenyl)tyrosinate (CAS: 83249-56-3)?

Ethyl N-acetyl-3,5-diiodo-O-(4-methoxyphenyl)tyrosinate (CAS: 83249-56-3) shows potential applications in pharmaceuticals, particularly in the development of iodine-containing compounds for antiseptic and antibiotic purposes. It may also be used in the synthesis of other organic compounds and in research for its unique spectral and reactivity properties.

What precautions should be taken when handling Ethyl N-acetyl-3,5-diiodo-O-(4-methoxyphenyl)tyrosinate (CAS: 83249-56-3)?

When handling Ethyl N-acetyl-3,5-diiodo-O-(4-methoxyphenyl)tyrosinate (CAS: 83249-56-3), it is essential to use appropriate personal protective equipment (PPE) including gloves, goggles, and a lab coat. Work should be conducted in a well-ventilated fume hood. Spills should be cleaned up carefully, and the material safety data sheet (MSDS) should be consulted for specific spill procedures. It is crucial to follow all laboratory safety guidelines due to its reactivity.

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Ethyl N-acetyl-3,5-diiodo-O-(4-methoxyphenyl)tyrosinate | CAS No. 83249-56-3

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

Customs Code

FAQ

What are the physical and chemical properties of Ethyl N-acetyl-3,5-diiodo-O-(4-methoxyphenyl)tyrosinate (CAS: 83249-56-3)?

How is Ethyl N-acetyl-3,5-diiodo-O-(4-methoxyphenyl)tyrosinate (CAS: 83249-56-3) typically synthesized?

What industries use Ethyl N-acetyl-3,5-diiodo-O-(4-methoxyphenyl)tyrosinate (CAS: 83249-56-3)?

What precautions should be taken when handling Ethyl N-acetyl-3,5-diiodo-O-(4-methoxyphenyl)tyrosinate (CAS: 83249-56-3)?

Related Compounds

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