(E)-N-{Hydroxy[(2-methyl-2-propanyl)oxy]methylene}-L-leucine

Basic Information

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CAS Number

13139-15-6

Molecular Formula

C11H21NO4

Molecular Weight

231.29 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Ethers

Fine Chemicals Surfactants Anionic Surfactants

Basic Physical Properties

Melting Point

85.0 to 88.0 deg-C

Boiling Point

356°C at 760 mmHg

Density

1.0610

Flash Point

157 °C

Refractive Index

-25 ° (C=2, AcOH)

Specific Rotation

-24.5° (c=2, acetic acid 25 °C)

SMILES

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CC(C)CC(C(=O)O)NC(=O)OC(C)(C)C

InChI

InChI=1S/C11H21NO4/c1-7(2)6-8(9(13)14)12-10(15)16-11(3,4)5/h7-8H,6H2,1-5H3,(H,12,15)(H,13,14)/t8-/m0/s1

InChIKey

MDXGYYOJGPFFJL-QMMMGPOBSA-N

LogP

2.0104

Topological Polar Surface Area

75.63 Å²

Hydrogen Bond Donor/Acceptor

2 / 5

Complexity

255

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

N-Boc-Leu-OH
L-Leucine,N-[(1,1-dimethylethoxy)carbonyl]-,monohydrate(9ci)
BocLeucine
N-((1,1-Dimethylethoxy)carbonyl)-L-leucine
N-t-butyloxycarbonyl-L-leucine
NALPHA-tert-Butoxycarbonyl-L-tert-leucine
L-Leucine, N-BOC protected
N-tert-Butoxycarbonyl-L-leucine
N-t-butoxycarbonyl-L-leucine
n-tert-butoxycarbonyl l-leucine
Z756439422
N-tert-Butyloxycarbonyl-L-leucine
tert-Butyloxycarbonyl-L-leucine
N-(tert-butyloxycarbonyl)-L-leucine
Boc-Leu--OH
N-tertiarybutoxycarbonyl-L-leucine
SCHEMBL17560
t-butoxycarbonyl-leucine
tert-Butoxycarbonylleucine
13139-15-6
(tert-butoxycarbonyl)-L-leucine
MFCD00066067
AS-36778
Q27103845
AC-24094
(2S)-2-[(TERT-BUTOXYCARBONYL)AMINO]-3,3-DIMETHYLBUTANOATE
EINECS 236-073-2
2-(S)-(1,1-dimethylethoxycarbonyl)amino-4-methylpentanoic acid
Boc-Leu-OH
boc-tbu-gly-oh
DTXSID80884507

MDL Number

MFCD00066067

Customs Code

2924199090

FAQ

What is (E)-N-{Hydroxy[(2-methyl-2-propanyl)oxy]methylene}-L-leucine (CAS: 13139-15-6)?

This compound is a synthetic amino acid derivative with the CAS number 13139-15-6. It features an ester group linked to L-leucine, a branched-chain amino acid, and includes a hydroxy and methylene functional group. The (E) configuration indicates the spatial arrangement of substituents. It is commonly used in pharmaceutical research for its structural versatility and potential biological activity.

What are the main uses of (E)-N-{Hydroxy[(2-methyl-2-propanyl)oxy]methylene}-L-leucine (CAS: 13139-15-6)?

The compound is primarily utilized in pharmaceutical development as a chiral building block for drug synthesis. It also finds applications in research related to enzyme inhibition studies and as an intermediate in the production of bioactive molecules. Its unique structure makes it valuable in creating derivatives with tailored functional properties for medicinal and industrial purposes.

Is (E)-N-{Hydroxy[(2-methyl-2-propanyl)oxy]methylene}-L-leucine (CAS: 13139-15-6) safe?

Safety data for this compound is limited, but as a chemical reagent, it requires standard handling precautions. Avoid direct skin contact and inhalation, and use appropriate personal protective equipment (PPE) like gloves and goggles. It is generally considered safe in controlled laboratory settings, but specific safety guidelines should be followed to ensure compliance with chemical safety standards.

How should (E)-N-{Hydroxy[(2-methyl-2-propanyl)oxy]methylene}-L-leucine (CAS: 13139-15-6) be stored?

Store this compound in a cool, dry place (ideally below 25°C), away from light, and in an airtight container to prevent moisture ingress. Maintain low humidity levels and avoid exposure to air or reactive substances. Stability is optimal under these conditions, but always check the manufacturer's specifications for precise storage requirements.