4-Chloro-N-{[(2-methyl-2-propanyl)oxy]carbonyl}-L-phenylalanine

Basic Information

View in Editor

CAS Number

68090-88-0

Molecular Formula

C14H18ClNO4

Molecular Weight

299.75 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

Agricultural Chemicals Pesticides Herbicides

Basic Physical Properties

Melting Point

110.0 to 114.0 deg-C

Boiling Point

452.5℃ at 760 mmHg

Density

1.2167 (rough estimate)

Flash Point

227.5±27.3 °C

Refractive Index

1.6800 (estimate)

Specific Rotation

24 º (c=1,EtOH)

SMILES

View in Editor

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

InChI

InChI=1S/C14H18ClNO4/c1-14(2,3)20-13(19)16-11(12(17)18)8-9-4-6-10(15)7-5-9/h4-7,11H,8H2,1-3H3,(H,16,19)(H,17,18)/t11-/m0/s1

InChIKey

BETBOAZCLSJOBQ-NSHDSACASA-N

LogP

2.8604000000000003

Topological Polar Surface Area

75.63 Å²

Hydrogen Bond Donor/Acceptor

2 / 5

Complexity

346

Safety Information

View Safety Information

Hazard Class

Class IRRITANT Class IRRITANT

Synonyms & References

English

Boc-4-chloro-L-phenylalanine
BOC-4-CHLORO-PHE-OH
Boc-L-phe(4-Cl)-OH
(2S)-2-{[(tert-butoxy)carbonyl]amino}-3-(4-chlorophenyl)propanoic acid
L-PHENYLALANINE, 4-CHLORO-N-[(1,1-DIMETHYLETHOXY)CARBONYL]-
(S)-N-Boc-4-chlorophenyl alanine
BOC-P-CHLORO-PHE-OH
AM804225
SS-6058
Boc-Phe-(4-Cl)-OH
(2S)-3-(4-chlorophenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
Boc-4-chloro L-phenylalanine
AC-9881
Boc-L-4-chlorophenylalanine (Boc-L-Phe(4-Cl)-OH)
Boc-L-4-Chlorophenylalanine
HY-W008486
(S)-3-(4-chlorophenyl)-2-(tert-butoxycarbonylamino)propanoic acid
AKOS015889982
N-Boc-4-chloro-L-phenylalanine
(S)-2-(Boc-amino)-3-(4-chloro-phenyl)-propionic acid;Boc-4-chloro-Phe-OH
CS-W008486
(S)-2-(tert-butoxycarbonylamino)-3-(4-chlorophenyl)propanoic acid
GS-0030
Boc-Phe(4-Cl)-OH
EN300-3367018
N-(tert-Butoxycarbonyl)-4-chloro-L-phenylalanine
BOC-4-CHLORO-PHENYLALANINE
Boc-Phe(4-Cl)-OH, >=96.0% (TLC)
J-300389
Boc-L-4-Chlorophe
SCHEMBL181848

MDL Number

MFCD00057808

Customs Code

2924299090

FAQ

What is 4-Chloro-N-{[(2-methyl-2-propanyl)oxy]carbonyl}-L-phenylalanine (CAS: 68090-88-0)?

4-Chloro-N-{[(2-methyl-2-propanyl)oxy]carbonyl}-L-phenylalanine is a chiral compound with the CAS number 68090-88-0. It is an ester derivative of 4-chloro-L-phenylalanine, characterized by its unique chemical structure and properties, which include solubility in organic solvents and potential bioactivity.

What are the main uses of 4-Chloro-N-{[(2-methyl-2-propanyl)oxy]carbonyl}-L-phenylalanine (CAS: 68090-88-0)?

4-Chloro-N-{[(2-methyl-2-propanyl)oxy]carbonyl}-L-phenylalanine is primarily used in the pharmaceutical industry for the synthesis of prodrugs and as a building block in drug discovery. It also finds applications in research, particularly in the study of amino acids and peptides.

Is 4-Chloro-N-{[(2-methyl-2-propanyl)oxy]carbonyl}-L-phenylalanine (CAS: 68090-88-0) safe?

4-Chloro-N-{[(2-methyl-2-propanyl)oxy]carbonyl}-L-phenylalanine is generally considered safe when handled with appropriate precautions. It is important to follow safety guidelines, such as wearing protective gloves and goggles, and storing it in a cool, dry place away from heat and direct sunlight to prevent degradation. Proper disposal methods should also be followed to avoid environmental contamination.

How should 4-Chloro-N-{[(2-methyl-2-propanyl)oxy]carbonyl}-L-phenylalanine (CAS: 68090-88-0) be stored?

4-Chloro-N-{[(2-methyl-2-propanyl)oxy]carbonyl}-L-phenylalanine should be stored in a cool, dry place, protected from heat and light. It should be kept in a tightly sealed container to prevent degradation. Optimal storage conditions include a temperature range of 0°C to 25°C, with low humidity to ensure the compound remains stable and safe for use.