Methyl (3S)-3-amino-3-phenylpropanoate

Basic Information

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CAS Number

37088-66-7

Molecular Formula

C10H13NO2

Molecular Weight

179.22 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

Basic Physical Properties

SMILES

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COC(=O)C[C@H](N)c1ccccc1

InChI

InChI=1S/C10H13NO2/c1-13-10(12)7-9(11)8-5-3-2-4-6-8/h2-6,9H,7,11H2,1H3/t9-/m0/s1

InChIKey

XKIOBYHZFPTKCZ-VIFPVBQESA-N

LogP

1.2494999999999998

Topological Polar Surface Area

52.32 Å²

Hydrogen Bond Donor/Acceptor

2 / 3

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

(S)-Methyl 3-amino-3-phenylpropanoate
Methyl (3S)-3-Amino-3-phenylpropanoate
b-amino-, methyl ester, (bS)-Benzenepropanoic acid,
Methyl (S)-3-amino-3-phenylpropanoate
(S)-3-Amino-3-phenylpropionic acid methyl ester
methyl (3S)-3-amino-3-phenylpropanoate

MDL Number

MFCD08056711

Customs Code

2922499990

FAQ

What are the physical and chemical properties of Methyl (3S)-3-amino-3-phenylpropanoate (CAS: 37088-66-7)?

Methyl (3S)-3-amino-3-phenylpropanoate (CAS: 37088-66-7) is a white crystalline solid with a molecular weight of approximately 182.23 g/mol. It is slightly soluble in water but more soluble in organic solvents. This compound exhibits basic properties due to its amino group and is reactive towards acid-catalyzed reactions.

How is Methyl (3S)-3-amino-3-phenylpropanoate (CAS: 37088-66-7) typically synthesized?

Methyl (3S)-3-amino-3-phenylpropanoate (CAS: 37088-66-7) is typically synthesized via an aminomethylation reaction of phenylpropanoic acid. The reaction is catalyzed by a strong base such as sodium hydride, with good yield and selectivity. The process is carried out in an inert atmosphere to prevent side reactions.

What industries use Methyl (3S)-3-amino-3-phenylpropanoate (CAS: 37088-66-7)?

Methyl (3S)-3-amino-3-phenylpropanoate (CAS: 37088-66-7) is primarily used in the pharmaceutical industry for the synthesis of various medicinals. It also finds applications in the production of certain polymers and as a precursor in the synthesis of organic compounds for sensor and semiconductor technologies.

What precautions should be taken when handling Methyl (3S)-3-amino-3-phenylpropanoate (CAS: 37088-66-7)?

When handling Methyl (3S)-3-amino-3-phenylpropanoate (CAS: 37088-66-7), it is important to wear appropriate personal protective equipment (PPE) including gloves, goggles, and lab coat. Work should be conducted in a well-ventilated fume hood to avoid inhalation. Spills should be cleaned up using appropriate absorbents and disposed of according to local regulations. Always refer to the Material Safety Data Sheet (MSDS) for detailed safety information.