3,5-Dibromotyrosine

Basic Information

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CAS Number

300-38-9

Molecular Formula

C9H9Br2NO3

Molecular Weight

338.98 g/mol

Basic Physical Properties

Melting Point

245°C

Boiling Point

416.6°Cat760mmHg

Flash Point

205.7°C

Refractive Index

0.8 ° (C=5, 1mol/L HCl)

SMILES

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OC(=O)[C@H](Cc1cc(Br)c(c(c1)Br)O)N

InChI

InChI=1S/C9H9Br2NO3/c10-5-1-4(2-6(11)8(5)13)3-7(12)9(14)15/h1-2,7,13H,3,12H2,(H,14,15)/t7-/m0/s1

InChIKey

COESHZUDRKCEPA-ZETCQYMHSA-N

LogP

1.8716

pKa

2.17, 6.45, 7.60(at 25℃)

Topological Polar Surface Area

83.55 Å²

Hydrogen Bond Donor/Acceptor

4 / 4

Complexity

227

Safety Information

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Hazard Class

Class IRRITANT Class IRRITANT

Synonyms & References

English

3,5-Dibromo-L-tyrosine
H-PHE(3,5-BR2, 4-OH)-OH DIHYDRATE
H-TYR(3,5-BR 2)-OH 2H2O
L-(3,5-DIBROMO, 4-HYDROXY)PHENYLALANINE DIHYDRATE
L-(3,5-DIBROMO)TYROSINE DIHYDRATE
L-Tyr(3',5'-Br2)
5,5'-Dibromo-2,2'-dihydroxybenzil
Dibromotyrosine
(S)-2-Amino-3-(3,5-dibromo-4-hydroxyphenyl)propanoic acid
3,5-Dibromotyrosine
H-3,5-Dibromo-Tyr-OH
H-3005-Dibromo-Tyr-OH
H-L-3,5-Dibromo-Tyr-OH.2H2O
3,5-Dibrom-L-tyrosin
3,5-Dibromo-L-tyrosi
Biotiren
L-3,5-Dibromotyrosine
L-4-hydroxy-3,5-dibromo-phenylalanine
β-(3,5-DibroMo-4-hydroxyphenyl)alanine
Tyrosine,3,5-dibromo-, L- (8CI)
Bromotiren
NSC 210786
NSC 97935
b-(3,5-Dibromo-4-hydroxyphenyl)alanine
Dibromotirina
H-Tyr(3,5-DiBr)-OH
DiBrY
3,5 DIBROMOTYROSINE
Tyrosine, 3,5-dibromo-
L-Tyrosine, 3,5-dibromo-
(2S)-2-amino-3-(3,5-dibromo-4-hydroxyphenyl)propanoic acid

MDL Number

MFCD00037204

FAQ

What are the physical and chemical properties of 3,5-Dibromotyrosine (CAS: 300-38-9)?

3,5-Dibromotyrosine (CAS: 300-38-9) is a crystalline solid with a molecular weight of approximately 287.07 g/mol. It has a low solubility in water and is more soluble in organic solvents. This compound is relatively stable but can react with reducing agents. It has a melting point of around 235-238°C and is slightly acidic due to its carboxyl group.

How is 3,5-Dibromotyrosine (CAS: 300-38-9) typically synthesized?

3,5-Dibromotyrosine (CAS: 300-38-9) is typically synthesized through bromination of tyrosine using bromine in the presence of a base like sodium hydroxide. The reaction is carried out in an aprotic solvent such as dimethylformamide (DMF). The yield and selectivity of the reaction can be enhanced by using appropriate catalysts and optimizing reaction conditions.

What industries use 3,5-Dibromotyrosine (CAS: 300-38-9)?

3,5-Dibromotyrosine (CAS: 300-38-9) is used in the pharmaceutical industry for the synthesis of certain drugs and intermediates. It is also utilized in the development of sensors and in the production of novel materials for semiconductors and polymers. The compound's unique structure makes it useful in various applications where bromine functionality is required.

What precautions should be taken when handling 3,5-Dibromotyrosine (CAS: 300-38-9)?

When handling 3,5-Dibromotyrosine (CAS: 300-38-9), it is essential to wear appropriate personal protective equipment (PPE) such as gloves, goggles, and a lab coat. Work should be conducted in a well-ventilated area or a fume hood. Spills should be cleaned up carefully using appropriate absorbent materials and disposed of according to local regulations. Always refer to the Material Safety Data Sheet (MSDS) or Safety Data Sheet (SDS) for detailed safety information.