2-Methyl-2-propanyl L-tyrosinate

Basic Information

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CAS Number

16874-12-7

Molecular Formula

C13H19NO3

Molecular Weight

237.3 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

Basic Chemical Raw Materials Organic Chemicals Amines

Fine Chemicals Dyes and Pigments Organic Dyes

Fine Chemicals Surfactants Anionic Surfactants

Basic Physical Properties

Melting Point

140.0 to 145.0 deg-C

Boiling Point

358.1°C at 760 mmHg

Density

1.1250

Flash Point

No data available

Refractive Index

25 ° (C=2, EtOH)

Vapor Pressure

No data available

SMILES

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CC(C)(C)OC(=O)C(CC1=CC=C(C=C1)O)N

InChI

InChI=1S/C13H19NO3/c1-13(2,3)17-12(16)11(14)8-9-4-6-10(15)7-5-9/h4-7,11,15H,8,14H2,1-3H3/t11-/m0/s1

InChIKey

DIGHFXIWRPMGSA-NSHDSACASA-N

LogP

1.6036999999999997

Topological Polar Surface Area

72.55 Å²

Hydrogen Bond Donor/Acceptor

3 / 4

Complexity

252

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

2-Methyl-2-propanyl L-tyrosinate
EN300-257703
(L)-tyrosine, tert-butyl ester
CS-0020078
tyrosine tert.butyl ester
L-tyrosine O-t-butyl ester
tert-butyl (2S)-2-amino-3-(4-hydroxyphenyl)propanoate
MFCD00042644
L-Tyrosine tert-butyl ester, >=99.0% (NT)
A811008
(S)-tyrosine tert-butyl ester
NS00052679
16874-12-7
DIGHFXIWRPMGSA-NSHDSACASA-N
DTXSID301297192
(S)-tert-butyl 2-amino-3-(4-hydroxyphenyl)propanoate
tyrosine t-butyl ester
Tyrosine, 1,1-dimethylethyl ester
tert-Butyl L-tyrosinate
AKOS015924195
AKOS010365905
L-TYROSINE t-BUTYL ESTER
(S)-2-Amino-3-(4-hydroxyphenyl)propionic acid tert-butyl ester
T2446
T-9250
AC-15054
(1,1-dimethyl ethyl) L-tyrosinate
tyrosine-tert-butyl ester
L-Tyrosine tert-butyl ester
L-Tyrosine tert.butyl ester
HY-34519

MDL Number

MFCD00042644

Customs Code

2922509090

FAQ

What are the physical and chemical properties of 2-Methyl-2-propanyl L-tyrosinate (CAS: 16874-12-7)?

2-Methyl-2-propanyl L-tyrosinate is a crystalline compound with a molecular weight of approximately 242.31 g/mol. It has a melting point of around 70-72°C and is slightly soluble in water. Reactivity is moderate, typically requiring acidic or basic conditions for hydrolysis. It is stable under normal laboratory conditions but should be stored in a cool, dry place to prevent degradation.

How is 2-Methyl-2-propanyl L-tyrosinate (CAS: 16874-12-7) typically synthesized?

2-Methyl-2-propanyl L-tyrosinate is synthesized via a condensation reaction between 2-methyl-2-propanol and L-tyrosine. Commonly, this involves the use of acetic anhydride as a condensing agent under reflux conditions. The reaction is typically carried out in the presence of a Lewis acid catalyst like aluminum chloride to improve yield and selectivity. The overall yield is around 70-80%, with the product being isolated by recrystallization.

What industries use 2-Methyl-2-propanyl L-tyrosinate (CAS: 16874-12-7)?

2-Methyl-2-propanyl L-tyrosinate finds application in the pharmaceutical industry for the synthesis of certain drug intermediates. It is also used in the production of certain polymers and as a component in sensors and semiconductors. Its unique properties make it suitable for various organic synthesis reactions and as a functional group in complex molecules.

What precautions should be taken when handling 2-Methyl-2-propanyl L-tyrosinate (CAS: 16874-12-7)?

When handling 2-Methyl-2-propanyl L-tyrosinate, it is essential to wear appropriate personal protective equipment (PPE), including gloves, goggles, and a lab coat. Work should be conducted in a well-ventilated area or a fume hood to minimize exposure. Spills should be immediately cleaned up with appropriate absorbent materials, and the area should be thoroughly rinsed. Always consult the safety data sheet (SDS) for detailed information on handling and storage procedures.