(3S)-3-(3-Fluorophenyl)-3-({[(2-methyl-2-propanyl)oxy]carbonyl}amino)propanoic acid | CAS No. 500770-72-9

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

Basic Information

CAS Number

500770-72-9

Molecular Formula

C14H18FNO4

Molecular Weight

283.3 g/mol

AD

Basic Physical Properties

Density

1.214±0.06 g/cm3 (20 ºC 760 Torr),

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

InChI

InChI=1S/C14H18FNO4/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

IQPQPXUDXQDVMK-NSHDSACASA-N

LogP

2.866200000000001

Topological Polar Surface Area

75.63 Ų

Hydrogen Bond Donor/Acceptor

2 / 5

Complexity

354

Synonyms & References

English

  • (3S)-3-{[(tert-butoxy)carbonyl]amino}-3-(3-fluorophenyl)propanoic acid
  • 500770-72-9
  • Boc-(S)-3-amino-3-(3-fluorophenyl)propionic acid
  • (S)-3-(BOC-AMINO)-3-(3-FLUOROPHENYL)PROPANOIC ACID
  • (3S)-3-(3-fluorophenyl)-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
  • AC-25389
  • Boc-(S)-3-amino-3-(3-fluoro-phenyl)-propionic acid, AldrichCPR
  • EN300-1162724
  • AS-37721
  • SCHEMBL3069373
  • (3S)-3-[(tert-Butoxycarbonyl)amino]-3-(3-fluorophenyl)propanoic acid
  • Boc-3-Fluoro-L-b-phenylalanine
  • MFCD03427918
  • CS-0179095
  • DTXSID50426610
  • AKOS013462894
  • Boc-(S)-3-Amino-3-(3-fluoro-phenyl)-propionic acid
  • boc-(s)-3-amino-3-(3-fluorophenyl)propanoic acid
  • (S)-3-((tert-Butoxycarbonyl)amino)-3-(3-fluorophenyl)propanoic acid
  • BOC-(S)-3-AMINO-3-(3-FLUORO-PHENYL)-PROPIONIC ACID
  • Boc-(S)-3-Amino-3-(3-fluorophenyl)-propionic acid
  • BOC-(S)-3-AMINO-3-(3-FLUOROPHENYL)PROPIONIC ACID,
  • Boc-β-Phe(3-F)-OH

MDL Number

MFCD03427918

Customs Code

2924299090

FAQ

What are the physical and chemical properties of (3S)-3-(3-Fluorophenyl)-3-({[(2-methyl-2-propanyl)oxy]carbonyl}amino)propanoic acid (CAS: 500770-72-9)?

The compound is a white or off-white crystalline solid. It has a molecular weight of approximately 317.33 g/mol. It is slightly soluble in water and soluble in ethanol and acetone. Chemically, it exhibits reactivity typical of carboxylic acid derivatives, including amide and ester functionalities. It is stable under normal conditions but should be stored in a cool, dry place away from strong acids and bases.

How is (3S)-3-(3-Fluorophenyl)-3-({[(2-methyl-2-propanyl)oxy]carbonyl}amino)propanoic acid (CAS: 500770-72-9) typically synthesized?

The compound is typically synthesized via a multistep process involving protection of the carboxylic acid group, formation of an ester, and substitution of a fluorophenyl group. Key reagents include fluorobenzoic acid, acyl chlorides, and esterification agents. The final step involves protecting group removal and isolation of the desired product. The overall yield is moderate, and the reaction is highly selective.

What industries use (3S)-3-(3-Fluorophenyl)-3-({[(2-methyl-2-propanyl)oxy]carbonyl}amino)propanoic acid (CAS: 500770-72-9)?

This compound is primarily used in the pharmaceutical industry for the development of drugs targeting specific metabolic pathways. It may also find applications in the chemical industry for the synthesis of other compounds with similar functional groups. Additionally, it could be relevant in the production of certain sensors and in electronic applications due to its chemical properties.

What precautions should be taken when handling (3S)-3-(3-Fluorophenyl)-3-({[(2-methyl-2-propanyl)oxy]carbonyl}amino)propanoic acid (CAS: 500770-72-9)?

Proper personal protective equipment (PPE) such as gloves, goggles, and lab coat should be worn to protect against skin and eye contact. Handling should be done in a well-ventilated area or under a fume hood. Spills should be immediately cleaned up with appropriate absorbents, and the area should be thoroughly washed down. Safety data sheets (SDS) should be consulted for detailed emergency procedures and storage guidelines. The compound should be stored in a cool, dry place away from strong acids and bases.

Related Compounds

You might also like

Compound Q&A

What is 6-Methyl-7-oxabicyclo[4.1.0]heptan-2-one (CAS: 21889-89-4)?

6-Methyl-7-oxabicyclo[4.1.0]heptan-2-one is a cyclic ketone with a molecular for...

21889-89-46-Methyl-7-oxabicycl...
Compound Q&A

What is 4-[(6-Methyl-2-pyrazinyl)oxy]benzoic acid (CAS: 906353-00-2)?

4-[(6-Methyl-2-pyrazinyl)oxy]benzoic acid is a chemical compound with the CAS nu...

906353-00-24-[(6-Methyl-2-pyraz...
Compound Q&A

What is 2-(2-Pyridinyl)-1,3-propanediol (CAS: 49745-42-8)?

2-(2-Pyridinyl)-1,3-propanediol (CAS: 49745-42-8) is a colorless to slightly yel...

49745-42-82-(2-Pyridinyl)-1,3-...
Compound Q&A

What is 2-(6-Chloro-2-pyridinyl)-2-phenylacetonitrile (CAS: 24783-42-4)?

2-(6-Chloro-2-pyridinyl)-2-phenylacetonitrile is an organic compound with the CA...

24783-42-42-(6-Chloro-2-pyridi...
Compound Q&A

What is 2-Oxopropanamide (CAS: 631-66-3)?

2-Oxopropanamide, also known as 2-aminoacrylic acid, is a chemical compound with...

631-66-32-Oxopropanamide
Compound Q&A

What is 2-Methyl-2-propanyl 4-(5-bromo-6-methyl-2-pyridinyl)-1-piperazinecarboxylate (CAS: 1289040-88-5)?

2-Methyl-2-propanyl 4-(5-bromo-6-methyl-2-pyridinyl)-1-piperazinecarboxylate (CA...

1289040-88-52-Methyl-2-propanyl ...
Compound Q&A

What is NAMPT inhibitor-linker 1 (CAS: 2241019-57-6)?

NAMPT inhibitor-linker 1 (CAS: 2241019-57-6) is a chemical compound designed as ...

2241019-57-6NAMPT inhibitor-link...
Compound Q&A

What is (2-(2,2,2-Trifluoroacetyl)pyridin-4-yl)boronic acid (CAS: 1310404-58-0)?

It is a chemical compound with the structure (2-(2,2,2-Trifluoroacetyl)pyridin-4...

1310404-58-0(2-(2,2,2-Trifluoroa...
Compound Q&A

What is 1-(2-Chlorophenyl)-6-(3,3,3-trifluoro-2-methylpropyl)-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one (CAS: 794568-90-4)?

1-(2-Chlorophenyl)-6-(3,3,3-trifluoro-2-methylpropyl)-1,5-dihydro-4H-pyrazolo[3,...

794568-90-41-(2-Chlorophenyl)-6...
Compound Q&A

What is Vinyl(chloromethyl)dimethoxysilane (CAS: 1314981-48-0)?

Vinyl(chloromethyl)dimethoxysilane is an organosilicon compound with the molecul...

1314981-48-0Vinyl(chloromethyl)d...