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

Basic Information

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CAS Number

13726-85-7

Molecular Formula

C10H18N2O5

Molecular Weight

246.26 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Ethers

Basic Chemical Raw Materials Organic Chemicals Amines

Basic Physical Properties

Melting Point

113-116 °C (dec.)

Boiling Point

509.1°C at 760 mmHg

Flash Point

261.7℃

Solubility

Soluble in DMSO and methanol. Soluble in 1 mmole in 2 ml DMF.

Refractive Index

-4 ° (C=2, EtOH)

Specific Rotation

-3.5 º (c=2,C2H5OH)

SMILES

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

InChI

InChI=1S/C10H18N2O5/c1-10(2,3)17-9(16)12-6(8(14)15)4-5-7(11)13/h6H,4-5H2,1-3H3,(H2,11,13)(H,12,16)(H,14,15)/t6-/m0/s1

InChIKey

VVNYDCGZZSTUBC-LURJTMIESA-N

LogP

0.22980000000000028

Topological Polar Surface Area

118.72000000000001 Å²

Hydrogen Bond Donor/Acceptor

4 / 7

Complexity

308

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

tert-Butoxycarbonyl-L-glutamine
Boc-Gln-OH, 98%
(tert-Butoxycarbonyl)-L-glutamine
Glutamine, N2-carboxy-, N2-tert-butyl ester, L-
BB 0262324
N-Boc-L-Glutamine
SCHEMBL1001713
Z756456246
BOC-GLN
N.alpha.-tert-Butoxycarbonyl-L-glutamine
NSC 334370
(2S)-5-amino-2-[(2-methylpropan-2-yl)oxycarbonylamino]-5-oxopentanoic acid
N -(tert-butoxycarbonyl)-L-glutamine
N-BOC-glutamin
L-Glutamine, N(2)-[(1,1-dimethylethoxy)carbonyl]-
N2-((1,1-Dimethylethoxy)carbonyl)-L-glutamine
DTXSID30884633
EN300-72026
NS00051672
J-300124
L-Glutamine, N2-[(1,1-dimethylethoxy)carbonyl]-
Nalpha-tert-Butoxycarbonyl-L-glutamine
(S)-5-Amino-2-((tert-butoxycarbonyl)amino)-5-oxopentanoic acid
N~2~-(tert-butoxycarbonyl)-L-glutamine
Nalpha-(tert-Butoxycarbonyl)-L-glutamine
N-ALPHA-T-BUTYLOXYCARBONYL-L-GLUTAMINE
GLUTAMINE, N2-[(1,1-DIMETHYLETHOXY)CARBONYL]-
13726-85-7
(S)-5-AMINO-2-(TERT-BUTOXYCARBONYLAMINO)-5-OXOPENTANOIC ACID
N-t-Butyloxycarbonylglutamine
CS-D1512

MDL Number

MFCD00065571

Customs Code

2924199090

FAQ

What is N~2~-{[(2-Methyl-2-propanyl)oxy]carbonyl}-L-glutamine (CAS: 13726-85-7)?

N~2~-{[(2-Methyl-2-propanyl)oxy]carbonyl}-L-glutamine, with the CAS number 13726-85-7, is a derivative of L-glutamine. It contains a tert-butyl group connected through an ester linkage to the glutamine molecule, making it a protected amino acid. This compound is commonly used in organic synthesis and biochemical research due to its stability and reactivity. It has a molecular formula of C10H19NO5 and exhibits typical properties of amino acid derivatives, such as solubility in polar solvents and reactivity in nucleophilic substitution reactions.

What are the main uses of N~2~-{[(2-Methyl-2-propanyl)oxy]carbonyl}-L-glutamine (CAS: 13726-85-7)?

N~2~-{[(2-Methyl-2-propanyl)oxy]carbonyl}-L-glutamine is primarily used in pharmaceutical research as a building block for drug development. It also serves in the synthesis of peptides and proteins, where protecting groups are essential for controlled reactions. In industrial applications, it may be used in the production of specialty chemicals. Additionally, it is valuable in biochemical studies for its role in amino acid modification and functional group analysis.

Is N~2~-{[(2-Methyl-2-propanyl)oxy]carbonyl}-L-glutamine (CAS: 13726-85-7) safe?

N~2~-{[(2-Methyl-2-propanyl)oxy]carbonyl}-L-glutamine is generally considered safe when handled properly. However, as with many chemical compounds, it should be treated with care. It is recommended to use appropriate personal protective equipment (PPE), such as gloves and safety goggles, to avoid skin contact or inhalation. Safety data sheets (SDS) should be consulted for specific handling and disposal guidelines. It is not classified as highly toxic, but precautions should still be taken during its use in laboratory settings.

How should N~2~-{[(2-Methyl-2-propanyl)oxy]carbonyl}-L-glutamine (CAS: 13726-85-7) be stored?

N~2~-{[(2-Methyl-2-propanyl)oxy]carbonyl}-L-glutamine should be stored in a cool, dry place away from direct light. It is best kept in a sealed container at a temperature below 25°C to maintain stability. Proper storage conditions help prevent degradation and ensure the compound remains chemically intact. Avoid exposure to moisture and incompatible substances to preserve its quality and safety.