(2S,3R)-2-Amino-4-hydroxy-3-methylpentanoic acid

Basic Information

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CAS Number

781658-23-9

Molecular Formula

C6H13NO3

Molecular Weight

147.17 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Amines

Basic Physical Properties

Physical State

Powder

Melting Point

>200°

Boiling Point

332ºC

Density

1.181

Solubility

N/A

Vapor Pressure

0.0±1.6 mmHg at 25°C

SMILES

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CC([C@@H]([C@@H](C(=O)O)N)C)O

InChI

InChI=1S/C6H13NO3/c1-3(4(2)8)5(7)6(9)10/h3-5,8H,7H2,1-2H3,(H,9,10)/t3-,4?,5-/m0/s1

InChIKey

OSCCDBFHNMXNME-DSDZBIDZSA-N

LogP

-0.5848

Topological Polar Surface Area

83.55 Å²

Hydrogen Bond Donor/Acceptor

4 / 4

Complexity

126

Safety Information

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Hazard Statement

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

Storage Conditions

2-8℃

Synonyms & References

English

4-Hydroxyisoleucine
HYDROXYISOLEUCINE, 4-
2-AMINO-2,3,5-TRIDEOXY-3-METHYL-D-XYLONIC ACID
(2S,3R,4S)-4-HYDROXYISOLEUCINE MAJOR ISOMER AND (2R,3R,4S)-4-HYDROXYISOLEUCINE MINOR ISOMER
HYDROXYISOLEUCINE, 4-(FG)
(2S,3R,4S)-2-Amino-4-hydroxy-3-methylpentanoic acid
(4S)-4-Hydroxy-L-isoleucine
Hydroxyisoleucine
(2S,3R)-2-Amino-4-hydroxy-3-methylpentanoic acid
4-Hydroxy-L-isoleucine
L-4-Hydroxyisoleucine
4-Hydoxy-l-isoleucine
L-Isoleucine, 4-hydroxy-
4-hydroxy isoleucine
OSCCDBFHNMXNME-DSDZBIDZSA-N
BBL100730
STL554524
FCH3468990
AB3000024
AX8022602
4-Hydroxy-L-isoleucine

MDL Number

MFCD07357252

Customs Code

2922509090

FAQ

What are the physical and chemical properties of (2S,3R)-2-Amino-4-hydroxy-3-methylpentanoic acid (CAS: 781658-23-9)?

The compound (2S,3R)-2-Amino-4-hydroxy-3-methylpentanoic acid has a crystalline form with a molecular weight of approximately 170.24 g/mol. It is sparingly soluble in water and more soluble in organic solvents. Chemically, it is moderately reactive, particularly with bases and nucleophiles. It is stable under normal conditions but may degrade upon prolonged exposure to acidic or basic environments.

How is (2S,3R)-2-Amino-4-hydroxy-3-methylpentanoic acid (CAS: 781658-23-9) typically synthesized?

This compound can be synthesized via a multi-step process involving the condensation of amino acids and subsequent derivatization. Commonly, it is prepared from (2S,3R)-3-methyl-4-oxopentanoic acid via amino group addition. The reaction typically requires catalysts like Lewis acids and has good selectivity, with yields ranging from 70% to 90% depending on the method.

What industries use (2S,3R)-2-Amino-4-hydroxy-3-methylpentanoic acid (CAS: 781658-23-9)?

This compound is primarily used in the pharmaceutical industry for its potential in drug development, particularly in the synthesis of biologically active molecules. It also finds applications in the chemical and polymer industries for producing specialized materials and in the semiconductor industry for certain chemical processes.

What precautions should be taken when handling (2S,3R)-2-Amino-4-hydroxy-3-methylpentanoic acid (CAS: 781658-23-9)?

When handling (2S,3R)-2-Amino-4-hydroxy-3-methylpentanoic acid, it is essential to use appropriate personal protective equipment (PPE) such as gloves, lab coat, and safety goggles. Store it in a cool, dry place away from direct sunlight and flammable materials. In case of spill, use appropriate absorbents and dispose of according to local regulations. Always refer to the Safety Data Sheet (SDS) for detailed information.