N-(Butylsulfonyl)-L-tyrosine

Basic Information

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CAS Number

149490-60-8

Molecular Formula

C13H19NO5S

Molecular Weight

301.36 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Fine Chemicals Dyes and Pigments Organic Dyes

Fine Chemicals Surfactants Anionic Surfactants

Basic Physical Properties

Physical State

Pale-yellow to Yellow-brown Solid

Boiling Point

519.607°C at 760 mmHg

SMILES

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

InChI

InChI=1S/C13H19NO5S/c1-2-3-8-20(18,19)14-12(13(16)17)9-10-4-6-11(15)7-5-10/h4-7,12,14-15H,2-3,8-9H2,1H3,(H,16,17)/t12-/m0/s1

InChIKey

VCKJOKXXEIQENI-LBPRGKRZSA-N

LogP

1.1073999999999997

Topological Polar Surface Area

103.7 Å²

Hydrogen Bond Donor/Acceptor

3 / 6

Complexity

396

Safety Information

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Hazard Statement

H302 Harmful if swallowed
Acute toxicity, oral

H315 Causes skin irritation
Skin corrosion/irritation

H319 Causes serious eye irritation
Serious eye damage/eye irritation

H335 May cause respiratory irritation
Specific target organ toxicity, single exposure; Respiratory tract irritation

Synonyms & References

English

Debutylpiperidine Tirofiban
L-Tyrosine, N-(butylsulfonyl)-
(butylsulfonyl)-L-tyrosine
(2S)-2-(butylsulfonylamino)-3-(4-hydroxyphenyl)propanoic Acid
SCHEMBL7400070
CS-0152077
ZFA49060
DTXSID90450217
(s)-2-(butane-1-sulfonylamino)-3-(4-hydroxy-phenyl)-propionic acid
AC-26980
A13569
DS-4285
(2S)-2-(BUTANE-1-SULFONAMIDO)-3-(4-HYDROXYPHENYL)PROPANOIC ACID
N-(Butylsulfonyl)-L-tyrosine
BCP12319
C13H19NO5S
(s)-2-(butane-1-sulfonylamino)-3-(4-hydroxyphenyl)propionic acid
L-N-Butylsulfonyl-p-hydroxyphenylalanine
J-008595
MFCD07782139
(S)-2-(butylsulfonamido)-3-(4-hydroxyphenyl)propanoic acid
AKOS010385601
149490-60-8
(S)-2-(Butylsulfonamido)-3-(4-hydroxyphenyl)propanoic acid
L-N-BUTYLSULFONYL-P-HYDROXYPHENYLALANINE
(2S)-2-(butylsulfonylamino)-3-(4-hydroxyphenyl)propanoic acid
L-Tyrosine,N-(butylsulfonyl)-
N-Butylsulfonyl-L-tyrosine
: L-N-BUTYLSULFONYL-P-HYDROXYPHENYLALANINE
Tirofiban Impurity A
-2-(Butylsulfonamido)

MDL Number

MFCD07782139

Customs Code

2935009090

FAQ

What are the physical and chemical properties of N-(Butylsulfonyl)-L-tyrosine (CAS: 149490-60-8)?

N-(Butylsulfonyl)-L-tyrosine is a white to off-white crystalline powder. Its molecular weight is approximately 272.36 g/mol. This compound is slightly soluble in water and methanol. It is moderately reactive towards nucleophiles and can be used in various chemical reactions. The compound does not have significant reactivity towards acids or bases under normal conditions.

How is N-(Butylsulfonyl)-L-tyrosine (CAS: 149490-60-8) typically synthesized?

N-(Butylsulfonyl)-L-tyrosine is typically synthesized by reacting L-tyrosine with butylsulfonic anhydride in the presence of a base catalyst. The reaction is highly selective and provides good yields. The process involves careful control of reaction temperature and time to ensure the formation of the desired product.

What industries use N-(Butylsulfonyl)-L-tyrosine (CAS: 149490-60-8)?

N-(Butylsulfonyl)-L-tyrosine is used in the pharmaceutical industry for the synthesis of certain bioactive compounds. It is also utilized in the polymer industry for the production of special functional polymers. Additionally, this compound can be used in the field of chemical sensors and semiconductors for specific applications requiring its particular chemical properties.

What precautions should be taken when handling N-(Butylsulfonyl)-L-tyrosine (CAS: 149490-60-8)?

When handling N-(Butylsulfonyl)-L-tyrosine, it is important to use appropriate personal protective equipment (PPE), such as gloves, goggles, and a lab coat. The substance should be handled in a well-ventilated area or a fume hood to minimize inhalation risks. Spills should be cleaned up immediately using appropriate absorbent materials. Always refer to the Safety Data Sheet (SDS) for detailed information and emergency procedures.