N-{[(2-Methyl-2-propanyl)oxy]carbonyl}-L-valine

Basic Information

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CAS Number

13734-41-3

Molecular Formula

C10H19NO4

Molecular Weight

217.26 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Ethers

Basic Physical Properties

Melting Point

78.0 to 81.0 deg-C

Boiling Point

341.8°C at 760 mmHg

Flash Point

160.5℃

Refractive Index

-6.5 ° (C=1, AcOH)

Specific Rotation

-6.3 º (c=1,CH3COOH)

SMILES

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

InChI

InChI=1S/C10H19NO4/c1-6(2)7(8(12)13)11-9(14)15-10(3,4)5/h6-7H,1-5H3,(H,11,14)(H,12,13)/t7-/m0/s1

InChIKey

SZXBQTSZISFIAO-ZETCQYMHSA-N

LogP

1.6203

Topological Polar Surface Area

75.63 Å²

Hydrogen Bond Donor/Acceptor

2 / 5

Complexity

242

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

Hazard Class

Class IRRITANT Class IRRITANT

Synonyms & References

English

L-Valine, N-((1,1-dimethylethoxy)carbonyl)-
Boc-(L)-Val
28R8GK7LBC
Boc-(L)-Valine
Boc-NH-Val-OH
BocValOH
N-t-butyloxycarbonyl-L-valine
N-t-butyloxycarbonyl-valine
13734-41-3
N-BOC-valine
N-tert-butyloxycarbonyl-(L)-valine
SCHEMBL59323
N-(tert-butoxycarbony1)-L-valine
valine, N-[(1,1-dimethylethoxy)carbonyl]-
AKOS005175164
tert-Butoxycarbonyl-L-valine
n-boc-(l)-valine
Boc-L-valine
AC-17119
BOC-VAL
EINECS 237-307-6
UNII-28R8GK7LBC
Boc-valine
(2s)-tert-butoxycarbonylamino-3-methylbutyric acid
(S)-2-tert-butoxycarbonylamino-3-methylbutanoic acid
(S)-2-(t-butoxycarbonylamino)-3-methylbutanoic acid
(s)-n-boc-valine
(2S)-3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoic acid
N-Boc-Val-OH
N-Boc valine
BP-23488

MDL Number

MFCD00065605

Customs Code

2924199090

FAQ

What is N-{[(2-Methyl-2-propanyl)oxy]carbonyl}-L-valine (CAS: 13734-41-3)?

N-{[(2-Methyl-2-propanyl)oxy]carbonyl}-L-valine (CAS: 13734-41-3) is a chemical compound with the formula C13H27NO4. It is a white solid commonly used in organic synthesis, particularly in peptide chemistry. The molecule combines L-valine with a tert-butyl carbonate group, making it a key intermediate in the production of pharmaceuticals and bioactive compounds. Its structure provides stability for functional group manipulations in research applications.

What are the main uses of N-{[(2-Methyl-2-propanyl)oxy]carbonyl}-L-valine (CAS: 13734-41-3)?

N-{[(2-Methyl-2-propanyl)oxy]carbonyl}-L-valine (CAS: 13734-41-3) is primarily used in pharmaceutical research as a building block for drug development. It also serves as a chiral auxiliary in organic synthesis and is employed in the production of amino acid derivatives. Additionally, it finds applications in polymer science and as a precursor for bioactive molecules in chemical research.

Is N-{[(2-Methyl-2-propanyl)oxy]carbonyl}-L-valine (CAS: 13734-41-3) safe?

N-{[(2-Methyl-2-propanyl)oxy]carbonyl}-L-valine (CAS: 13734-41-3) is generally considered safe when handled properly. However, it should be treated with caution as it may cause mild skin or eye irritation. Safety data sheets (SDS) recommend using protective gloves, goggles, and ventilation. It is not classified as highly toxic but should be kept away from prolonged exposure to ensure safe handling in laboratory settings.

How should N-{[(2-Methyl-2-propanyl)oxy]carbonyl}-L-valine (CAS: 13734-41-3) be stored?

N-{[(2-Methyl-2-propanyl)oxy]carbonyl}-L-valine (CAS: 13734-41-3) should be stored in a cool, dry place at 2-8°C to maintain stability. It is sensitive to moisture and light, so airtight containers and dark storage conditions are recommended. Avoid exposure to heat and humidity to prevent degradation. Store in a well-ventilated area, and keep away from incompatible substances to ensure chemical safety.