D-Alloisoleucine

Basic Information

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CAS Number

1509-35-9

Molecular Formula

C6H13NO2

Molecular Weight

131.18 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Amines

Basic Physical Properties

Melting Point

291 °C (dec.)

Refractive Index

-37 ° (C=4, 6mol/L HCl)

Specific Rotation

-38 º (in 6N HCl)

SMILES

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CCC(C)C(C(=O)O)N

InChI

InChI=1S/C6H13NO2/c1-3-4(2)5(7)6(8)9/h4-5H,3,7H2,1-2H3,(H,8,9)/t4-,5+/m0/s1

InChIKey

AGPKZVBTJJNPAG-CRCLSJGQSA-N

LogP

0.44439999999999996

Topological Polar Surface Area

63.32000000000001 Å²

Hydrogen Bond Donor/Acceptor

3 / 3

Complexity

103

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

Synonyms & References

English

(2R,3S)-3-METHYL-2-AMINOPENTANOIC ACID
H-D-Allo-Ile-OH
Z1201618644
MFCD00065934
(2R,3S)-2-azaniumyl-3-methylpentanoate
D-Alloisoleucine
AM81860
C21092
NS00074114
threo-D-Isoleucine
BRN 1721794
EN300-101127
UNII-886W169S1R
D-allo-Isoleucine, 97%
886W169S1R
4-04-00-02777 (Beilstein Handbook Reference)
(-)-D-allo-isoleucine
J-018234
CHEMBL4239366
DTXSID901019590
BDBM50463207
D-(-)-ALLOISOLEUCINE
SCHEMBL288159
AKOS015842026
CS-W009266
Allo-D-isoleucine
DL-Alloisoleucine
AS-12098
Q27109362
AGPKZVBTJJNPAG-CRCLSJGQSA-N
Alloisoleucine, D-

MDL Number

MFCD00066445

Customs Code

2922499990

FAQ

What are the physical and chemical properties of D-Alloisoleucine (CAS: 1509-35-9)?

D-Alloisoleucine (CAS: 1509-35-9) is a crystalline compound with a molecular weight of approximately 141.22 g/mol. It has a solubility of about 1.6 g/100 mL in water and is practically insoluble in ethanol. It is mildly reactive, particularly in the presence of strong acids or bases. D-Alloisoleucine is stable under normal conditions but should be stored in a cool, dry place away from direct sunlight.

How is D-Alloisoleucine (CAS: 1509-35-9) typically synthesized?

D-Alloisoleucine (CAS: 1509-35-9) can be synthesized through the stereoselective reduction of L-alloisoleucine or by the stereospecific acylation of L-alloisoleucine methyl ester. The synthesis often involves the use of chiral pool amino acids and specific catalysts to ensure high selectivity and yield. The process typically yields over 90% D-Alloisoleucine with good stereochemical purity.

What industries use D-Alloisoleucine (CAS: 1509-35-9)?

D-Alloisoleucine (CAS: 1509-35-9) is primarily used in the pharmaceutical industry for the synthesis of complex natural products and as a building block in peptide and protein synthesis. It is also utilized in the polymer industry for the development of biodegradable materials and in the semiconductor industry for the preparation of chiral ligands. Additionally, it has applications in the food industry for flavor and fragrance production.

What precautions should be taken when handling D-Alloisoleucine (CAS: 1509-35-9)?

When handling D-Alloisoleucine (CAS: 1509-35-9), it is important to wear appropriate personal protective equipment (PPE), including gloves and safety goggles. It should be stored in a fume hood to minimize inhalation risks. Spills should be cleaned up immediately using appropriate absorbent materials, and the area should be well-ventilated. Always refer to the Safety Data Sheet (SDS) for specific handling instructions and emergency procedures.