Ethyl 3,5-diiodo-L-tyrosinate hydrochloride (1:1) | CAS No. 74051-47-1

Ethyl 3,5-diiodo-L-tyrosinate hydrochloride (1:1)

Basic Information

CAS Number

74051-47-1

Molecular Formula

C11H14ClI2NO3

Molecular Weight

497.5 g/mol

AD

Basic Physical Properties

Boiling Point

387.4 °C at 760 mmHg

Flash Point

387.4 °C at 760 mmHg

CCOC(=O)C(CC1=CC(=C(C(=C1)I)O)I)N.Cl

InChI

InChI=1S/C11H13I2NO3.ClH/c1-2-17-11(16)9(14)5-6-3-7(12)10(15)8(13)4-6;/h3-4,9,15H,2,5,14H2,1H3;1H/t9-;/m0./s1

InChIKey

ILBBOCVXEPIPBR-FVGYRXGTSA-N

LogP

2.456100000000001

Topological Polar Surface Area

72.55 Ų

Hydrogen Bond Donor/Acceptor

3 / 4

Complexity

253

Synonyms & References

English

  • AM82358
  • 74051-47-1
  • (S)-Ethyl2-amino-3-(4-hydroxy-3,5-diiodophenyl)propanoatehydrochloride
  • (S)-Ethyl 2-amino-3-(4-hydroxy-3,5-diiodophenyl)propanoate hydrochloride
  • PENTAMETHYLCYCLOHEXANE-1,1,3,3,5-PENTACARBOXYLATE
  • DTXSID90224955
  • Tyrosine, 3,5-diiodo-, ethyl ester, hydrochloride, L-
  • 3,5-Diiodo-l-tyrosine ethyl ester, HCl
  • ethyl (2S)-2-amino-3-(4-hydroxy-3,5-diiodophenyl)propanoate;hydrochloride
  • ethyl (2S)-2-amino-3-(4-hydroxy-3,5-diiodophenyl)propanoate hydrochloride
  • 3,5-Diiodo-L-tyrosine ethyl ester hydrochloride (H-L-Tyr(3,5-diI)-OEt.HCl)
  • MFCD00035073
  • 3,5-Diiodo-L-tyrosine ethyl ester hydrochloride
  • L-3,5-Diiodotyrosine ethyl ester hydrochloride
  • AKOS027340172
  • SCHEMBL2595594
  • L-3,5-Diiodotyrosine ethyl ester HCl
  • L-Tyrosine,3,5-diiodo-, ethyl ester, hydrochloride (9CI)
  • ethyl (2S)-2-amino-3-(4-hydroxy-3,5-diiodophenyl)propanoate,hydrochloride
  • H-Tyr(3,5-I2)-OEt.HCl
  • H-Tyr(3,5-I2)-OEt·HCl
  • Tyrosine,3,5-diiodo-,ethyl ester,hydrochloride,L

MDL Number

MFCD00035073

Customs Code

2922509090

FAQ

What are the physical and chemical properties of Ethyl 3,5-diiodo-L-tyrosinate hydrochloride (CAS: 74051-47-1)?

Ethyl 3,5-diiodo-L-tyrosinate hydrochloride (CAS: 74051-47-1) is a crystalline compound with a molecular weight of approximately 475.23 g/mol. It has a solubility of about 0.05 g/L in water at 25°C. The compound is relatively unreactive under normal conditions but can undergo hydrolysis under basic conditions. It is sensitive to light and air, requiring storage in a light-protected, sealed container.

How is Ethyl 3,5-diiodo-L-tyrosinate hydrochloride (CAS: 74051-47-1) typically synthesized?

Ethyl 3,5-diiodo-L-tyrosinate hydrochloride (CAS: 74051-47-1) is synthesized by reacting 3,5-diiodo-L-tyrosine with ethyl chloroformate in the presence of a catalyst such as pyridine. The reaction is performed under anhydrous conditions, and the product is isolated by recrystallization from ethanol. The yield is approximately 70-80%.

What industries use Ethyl 3,5-diiodo-L-tyrosinate hydrochloride (CAS: 74051-47-1)?

Ethyl 3,5-diiodo-L-tyrosinate hydrochloride (CAS: 74051-47-1) is used in the pharmaceutical industry for the development of iodinated tyrosine analogs. It is also utilized in the preparation of sensing materials and as a reagent in organic synthesis. Additionally, it may have applications in polymer chemistry and semiconductor manufacturing, though its use in these areas is less common.

What precautions should be taken when handling Ethyl 3,5-diiodo-L-tyrosinate hydrochloride (CAS: 74051-47-1)?

When handling Ethyl 3,5-diiodo-L-tyrosinate hydrochloride (CAS: 74051-47-1), it is essential to wear appropriate personal protective equipment (PPE), including gloves, goggles, and a laboratory coat. The compound should be handled in a well-ventilated area or a fume hood to avoid inhalation of dust. Spills should be cleaned up immediately using appropriate absorbents and disposed of according to local regulations. Always refer to the Safety Data Sheet (SDS) for detailed handling instructions and emergency procedures.

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