N-{[(2-Methyl-2-propanyl)oxy]carbonyl}-4-nitro-D-phenylalanine

Basic Information

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CAS Number

61280-75-9

Molecular Formula

C14H18N2O6

Molecular Weight

310.3 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Ethers

Fine Chemicals Dyes and Pigments Organic Dyes

Fine Chemicals Surfactants Anionic Surfactants

Basic Physical Properties

Melting Point

115°C

Boiling Point

509.3±45.0 °C at 760 mmHg

Density

1.2900

Flash Point

261.8±28.7 °C

Specific Rotation

-8 º (c=1,MeOH)

SMILES

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CC(C)(C)OC(=O)NC(CC1=CC=C(C=C1)[N+](=O)[O-])C(=O)O

InChI

InChI=1S/C14H18N2O6/c1-14(2,3)22-13(19)15-11(12(17)18)8-9-4-6-10(7-5-9)16(20)21/h4-7,11H,8H2,1-3H3,(H,15,19)(H,17,18)/t11-/m1/s1

InChIKey

XBQADBXCNQPHHY-LLVKDONJSA-N

LogP

3.02930

Complexity

418

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

Hazard Class

Class IRRITANT Class IRRITANT

Synonyms & References

English

CS-W009429
(R)-2-((tert-Butoxycarbonyl)amino)-3-(4-nitrophenyl)propanoic acid
XBQADBXCNQPHHY-LLVKDONJSA-N
J-300424
EN300-6732090
N-(tert-Butoxycarbonyl)-4-nitro-D-phenylalanine
A833140
61280-75-9
(2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-(4-nitrophenyl)propanoic acid
SCHEMBL441283
n-boc-p-nitro-d-phenylalanine
N-Boc-4-nitro-D-phenylalanine
AKOS007930333
Boc-D-4-nitrophenylalanine (Boc-D-Phe(4-NO2)-OH)
Boc-D-Phe(4-NO2)-OH, >=98.0% (TLC)
D-Phenylalanine, N-[(1,1-dimethylethoxy)carbonyl]-4-nitro-
Boc-D-Phe(4-NO2)-OH
GS-0035
(2R)-2-{[(tert-butoxy)carbonyl]amino}-3-(4-nitrophenyl)propanoic acid
HY-W008713
Boc-D-4-NO2-Phe-OH
MFCD00069880
(R)-2-(tert-butoxycarbonylamino)-3-(4-nitrophenyl)propanoic acid
Boc-D-4-Nitrophe
(2R)-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-3-(4-nitrophenyl)propanoic acid
Boc-4-nitro-D-phenylalanine
M03220
AM83457
B3668
A50136
Boc-p-nitro-D-Phe-OH

MDL Number

MFCD00069880

Customs Code

2924299090

FAQ

What are the physical and chemical properties of N-{[(2-Methyl-2-propanyl)oxy]carbonyl}-4-nitro-D-phenylalanine (CAS: 61280-75-9)?

N-{[(2-Methyl-2-propanyl)oxy]carbonyl}-4-nitro-D-phenylalanine is a crystalline compound with a molecular weight of approximately 295.23 g/mol. It is slightly soluble in water and organic solvents. The compound is moderately reactive, particularly with nucleophiles, and can undergo hydrolysis under acidic conditions. It has a pKa value around 3.5, indicating a weak acidity.

How is N-{[(2-Methyl-2-propanyl)oxy]carbonyl}-4-nitro-D-phenylalanine (CAS: 61280-75-9) typically synthesized?

N-{[(2-Methyl-2-propanyl)oxy]carbonyl}-4-nitro-D-phenylalanine is synthesized by a multi-step process involving the condensation of 4-nitro-D-phenylalanine with methyl 2-methyl-2-propanol carbonate. The reaction is catalyzed by a phosphoric acid derivative and occurs under mild conditions. The overall yield is around 75%, and the product is isolated by recrystallization from a suitable solvent.

What industries use N-{[(2-Methyl-2-propanyl)oxy]carbonyl}-4-nitro-D-phenylalanine (CAS: 61280-75-9)?

N-{[(2-Methyl-2-propanyl)oxy]carbonyl}-4-nitro-D-phenylalanine is primarily used in the pharmaceutical industry for the synthesis of certain peptide-based drugs. It is also employed in the development of sensors for detecting specific biomolecules and has potential applications in the field of polymer chemistry for the synthesis of novel materials.

What precautions should be taken when handling N-{[(2-Methyl-2-propanyl)oxy]carbonyl}-4-nitro-D-phenylalanine (CAS: 61280-75-9)?

When handling N-{[(2-Methyl-2-propanyl)oxy]carbonyl}-4-nitro-D-phenylalanine, it is important to wear appropriate personal protective equipment (PPE), including gloves, goggles, and a lab coat. The compound should be stored in a cool, dry place away from direct sunlight. Spills should be cleaned up using absorbent materials and disposed of according to local waste regulations. A safety data sheet (SDS) should be consulted for detailed handling and disposal instructions.