4-Benzoyl-N-{[(2-methyl-2-propanyl)oxy]carbonyl}-D-phenylalanine

Basic Information

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CAS Number

117666-94-1

Molecular Formula

C21H23NO5

Molecular Weight

369.42 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Ketones

Basic Chemical Raw Materials Organic Chemicals Ethers

Fine Chemicals Dyes and Pigments Organic Dyes

Fine Chemicals Surfactants Anionic Surfactants

Basic Physical Properties

Boiling Point

561.4°Cat760mmHg

Density

1.204

Flash Point

293.3°C

Refractive Index

1.567

SMILES

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CC(C)(C)OC(=O)NC(CC1=CC=C(C=C1)C(=O)C2=CC=CC=C2)C(=O)O

InChI

InChI=1S/C21H23NO5/c1-21(2,3)27-20(26)22-17(19(24)25)13-14-9-11-16(12-10-14)18(23)15-7-5-4-6-8-15/h4-12,17H,13H2,1-3H3,(H,22,26)(H,24,25)/t17-/m1/s1

InChIKey

HIQJNYPOWPXYIC-QGZVFWFLSA-N

LogP

3.4380000000000024

Topological Polar Surface Area

92.69999999999999 Å²

Hydrogen Bond Donor/Acceptor

2 / 6

Complexity

525

Safety Information

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Hazard Class

Class IRRITANT Class IRRITANT

Synonyms & References

English

PS-12874
SCHEMBL12984836
A50133
CS-W009769
Boc-D-Bpa-OH, >=96.0% (HPLC)
MFCD00237572
Boc-4-benzoyl-D-phenylalanine
Boc-D-Bpa-OH
(2R)-3-(4-benzoylphenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
N-alpha-t-Butyloxycarbonyl-4-benZoyl-D-phenylalanine (Boc-D-Bpa-OH)
HY-W009053
Boc-D-Phe(4-Bzo)-OH
4-benzoyl-N-[(1,1-dimethylethoxy)carbonyl]-D-phenylalanine
J-003648
Boc-D-4-Benzoylalanine
DTXSID20427194
A803810
Boc-D-4-Benzoylphenylalanine
117666-94-1
AKOS015836424
(R)-3-(4-Benzoylphenyl)-2-((tert-butoxycarbonyl)amino)propanoic acid
BOC-D-4-BENZOYLALANINE
BOC-D-BPA-OH
Boc-p-Bz-D-Phe-OH
Fmoc-D-4-Benzoylphenylalanine
N-alpha-t-Butyloxycarbonyl-4-benzoyl-D-phenylalanine

MDL Number

MFCD00237572

FAQ

What are the physical and chemical properties of 4-Benzoyl-N-{[(2-methyl-2-propanyl)oxy]carbonyl}-D-phenylalanine (CAS: 117666-94-1)?

4-Benzoyl-N-{[(2-methyl-2-propanyl)oxy]carbonyl}-D-phenylalanine is a white to off-white powder with a molecular weight of approximately 402.36 g/mol. It has low water solubility and good solubility in organic solvents like methanol and ethanol. The compound is moderately reactive, particularly in esterification reactions, and can be used as a precursor in peptide synthesis.

How is 4-Benzoyl-N-{[(2-methyl-2-propanyl)oxy]carbonyl}-D-phenylalanine (CAS: 117666-94-1) typically synthesized?

4-Benzoyl-N-{[(2-methyl-2-propanyl)oxy]carbonyl}-D-phenylalanine is synthesized through a multi-step process involving the benzoylation of D-phenylalanine and subsequent acylation. The key reagents include benzoyl chloride and 2-methyl-2-propanol. The synthesis involves protecting group chemistry and careful control of reaction conditions to achieve high yield and selectivity.

What industries use 4-Benzoyl-N-{[(2-methyl-2-propanyl)oxy]carbonyl}-D-phenylalanine (CAS: 117666-94-1)?

4-Benzoyl-N-{[(2-methyl-2-propanyl)oxy]carbonyl}-D-phenylalanine is used in the pharmaceutical industry as a building block for peptide synthesis. It is also utilized in the polymer industry for the development of special polymers with specific functional groups. Additionally, it finds applications in biosensors and as a precursor in semiconductor manufacturing processes.

What precautions should be taken when handling 4-Benzoyl-N-{[(2-methyl-2-propanyl)oxy]carbonyl}-D-phenylalanine (CAS: 117666-94-1)?

Proper laboratory safety measures are essential when handling 4-Benzoyl-N-{[(2-methyl-2-propanyl)oxy]carbonyl}-D-phenylalanine (CAS: 117666-94-1). Wear appropriate personal protective equipment (PPE) including gloves, goggles, and lab coat. Store the compound in a cool, dry place away from direct sunlight. All handling and disposal should be performed in a fume hood. Refer to the Material Safety Data Sheet (MSDS) for detailed safety information and emergency procedures.