(3S)-3-(3-Chlorophenyl)-3-({[(2-methyl-2-propanyl)oxy]carbonyl}amino)propanoic acid

Basic Information

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CAS Number

500770-74-1

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

Density

1.243±0.06 g/cm3 (20 ºC 760 Torr),

SMILES

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

InChI

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

InChIKey

UDUKZORPLJUWTF-NSHDSACASA-N

LogP

3.3805000000000014

Topological Polar Surface Area

75.63 Å²

Hydrogen Bond Donor/Acceptor

2 / 5

Complexity

354

Synonyms & References

English

Boc-(S)-3-amino-3-(3-chlorophenyl)propionic acid
(S)-3-(BOC-AMINO)-3-(3-CHLOROPHENYL)PROPANOIC ACID
DTXSID401146081
(betaS)-3-Chloro-beta-[[(1,1-dimethylethoxy)carbonyl]amino]benzenepropanoic acid
MFCD03427921
boc-(s)-3-amino-3-(3-chlorophenyl)propanoic acid
CS-0154511
(3S)-3-{[(tert-butoxy)carbonyl]amino}-3-(3-chlorophenyl)propanoic acid
(S)-3-((tert-Butoxycarbonyl)amino)-3-(3-chlorophenyl)propanoic acid
500770-74-1
SCHEMBL742764
AC-22023
(3S)-3-(3-chlorophenyl)-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
EN300-1162718
Boc-S-3-Amino-3-(3-chloro-phenyl)-propionic acid
AS-37347
Benzenepropanoic acid, 3-chloro-β-[[(1,1-dimethylethoxy)carbonyl]amino]-, (βS)-
BOC-(S)-3-AMINO-3-(3-CHLORO-PHENYL)-PROPIONIC ACID
Boc-(S)-3-Amino-3-(3-chlorophenyl)-propionic acid
BOC-(S)-3-AMINO-3-(3-CHLOROPHENYL)PROPIONIC ACID,
Boc-3-Chloro-L-b-phenylalanine

MDL Number

MFCD03427921

Customs Code

2924299090

FAQ

What is (3S)-3-(3-Chlorophenyl)-3-({[(2-methyl-2-propanyl)oxy]carbonyl}amino)propanoic acid (CAS: 500770-74-1)?

(3S)-3-(3-Chlorophenyl)-3-({[(2-methyl-2-propanyl)oxy]carbonyl}amino)propanoic acid is a chiral compound with a unique chemical structure. It features a 3-chlorophenyl group attached to a propanoic acid derivative. This compound is characterized by its distinct stereochemistry and functional groups, making it useful in pharmaceutical and chemical research.

What are the main uses of (3S)-3-(3-Chlorophenyl)-3-({[(2-methyl-2-propanyl)oxy]carbonyl}amino)propanoic acid (CAS: 500770-74-1)?

(3S)-3-(3-Chlorophenyl)-3-({[(2-methyl-2-propanyl)oxy]carbonyl}amino)propanoic acid is primarily used in pharmaceutical research and development. It serves as a key intermediate in the synthesis of more complex molecules and exhibits potential in the development of new drugs targeting specific biological pathways.

Is (3S)-3-(3-Chlorophenyl)-3-({[(2-methyl-2-propanyl)oxy]carbonyl}amino)propanoic acid (CAS: 500770-74-1) safe?

The safety of (3S)-3-(3-Chlorophenyl)-3-({[(2-methyl-2-propanyl)oxy]carbonyl}amino)propanoic acid depends on handling and storage conditions. It is important to follow all safety guidelines, including the use of appropriate personal protective equipment (PPE), to avoid skin contact and inhalation. It should be stored in a cool, dry place away from direct sunlight and heat sources.

How should (3S)-3-(3-Chlorophenyl)-3-({[(2-methyl-2-propanyl)oxy]carbonyl}amino)propanoic acid (CAS: 500770-74-1) be stored?

(3S)-3-(3-Chlorophenyl)-3-({[(2-methyl-2-propanyl)oxy]carbonyl}amino)propanoic acid should be stored in a tightly sealed container at a temperature not exceeding 25°C and away from direct sunlight and heat sources. Maintain a relative humidity below 60% and ensure good ventilation to prevent moisture and degradation.