N-Acetyl-3,5-diiodo-L-tyrosine

Basic Information

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CAS Number

1027-28-7

Molecular Formula

C11H11I2NO4

Molecular Weight

475.02 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Fine Chemicals Dyes and Pigments Organic Dyes

Fine Chemicals Surfactants Anionic Surfactants

Agricultural Chemicals Pesticides Herbicides

Basic Physical Properties

Melting Point

124.0 to 128.0 °C

Boiling Point

532.9 °C at 760 mmHg

Density

2.2060

Flash Point

276.1 °C

Refractive Index

1.692

SMILES

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CC(=O)NC(CC1=CC(=C(C(=C1)I)O)I)C(=O)O

InChI

InChI=1S/C11H11I2NO4/c1-5(15)14-9(11(17)18)4-6-2-7(12)10(16)8(13)3-6/h2-3,9,16H,4H2,1H3,(H,14,15)(H,17,18)/t9-/m0/s1

InChIKey

CDXURJOCZAIXFK-VIFPVBQESA-N

LogP

1.7331999999999996

Topological Polar Surface Area

86.63000000000001 Å²

Hydrogen Bond Donor/Acceptor

3 / 5

Complexity

314

Synonyms & References

English

(S)-2-Acetamido-3-(4-hydroxy-3,5-diiodophenyl)propanoic acid
DTXSID901305606
AKOS015889840
N-acetyl-3-5-diiodo-L-tyrosine
3,5-Diiodo-N-Acetyl-L-Tyrodine
D88211
NS00043053
N-Acetyl-3,5-diiodo-L-tyrosine
AKOS015994902
(2S)-2-acetamido-3-(4-hydroxy-3,5-diiodophenyl)propanoic acid
SCHEMBL468888
1027-28-7
HY-W010816
AS-19996
CS-W011532
EN300-7384260
AC-7499
C11H11I2NO4
A0087
MFCD00020004
A800608
L-Tyrosine, N-acetyl-3,5-diiodo-
N-Acetyl-3,5-Diiodo-L-tyrosine dihydrate
2-(Acetylamino)-3-(4-hydroxy-3,5-diiodophenyl)propanoic acid
N-Acetyl-3,5-diiodotyrosine
N-Acetyl-3,
5-Diiodo-L-Tyrosine
AC-3,5-DIIODO-TYR-OH
3,5-DIIODO-N-ACETYL-L-TYROSINE
3,5-diiodo-N-acetyl-L-thyrosine
2h2o*crystallin

MDL Number

MFCD00020004

Customs Code

2924299090

FAQ

What are the physical and chemical properties of N-Acetyl-3,5-diiodo-L-tyrosine (CAS: 1027-28-7)?

N-Acetyl-3,5-diiodo-L-tyrosine (CAS: 1027-28-7) is a crystalline solid with a molecular weight of approximately 413.9 g/mol. It is poorly soluble in water and exhibits high reactivity towards iodine radicals. The compound tends to decompose under acidic conditions, making it sensitive to pH changes.

How is N-Acetyl-3,5-diiodo-L-tyrosine (CAS: 1027-28-7) typically synthesized?

N-Acetyl-3,5-diiodo-L-tyrosine is typically synthesized by the iodination of N-acetyl-L-tyrosine using iodine in an appropriate solvent like acetone or ethyl acetate. The reaction is catalyzed by a phase-transfer catalyst and proceeds with moderate to high selectivity and good yield.

What industries use N-Acetyl-3,5-diiodo-L-tyrosine (CAS: 1027-28-7)?

N-Acetyl-3,5-diiodo-L-tyrosine is used in several industries, particularly in pharmaceuticals for its potential as an antithyroid agent. It also finds use in the production of certain sensors and semiconductors due to its unique chemical properties.

What precautions should be taken when handling N-Acetyl-3,5-diiodo-L-tyrosine (CAS: 1027-28-7)?

When handling N-Acetyl-3,5-diiodo-L-tyrosine, it is crucial to wear appropriate personal protective equipment (PPE) such as gloves, safety goggles, and a lab coat. The compound should be handled in a well-ventilated area or a fume hood. In case of spillage, neutralize the spill with a suitable agent and dispose of any contaminated materials according to safety data sheet (SDS) guidelines.