(3R)-3-({[(2-Methyl-2-propanyl)oxy]carbonyl}amino)-4-(2,4,5-trifluorophenyl)butanoic acid

Basic Information

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CAS Number

486460-00-8

Molecular Formula

C15H18F3NO4

Molecular Weight

333.31 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

Fine Chemicals Specialty Chemicals UV Stabilizers

Agricultural Chemicals Pesticides Herbicides

Basic Physical Properties

Melting Point

136-138℃

Boiling Point

443.1°C at 760 mmHg

SMILES

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CC(C)(C)OC(=O)NC(CC1=CC(=C(C=C1F)F)F)CC(=O)O

InChI

InChI=1S/C15H18F3NO4/c1-15(2,3)23-14(22)19-9(6-13(20)21)4-8-5-11(17)12(18)7-10(8)16/h5,7,9H,4,6H2,1-3H3,(H,19,22)(H,20,21)/t9-/m1/s1

InChIKey

TUAXCHGULMWHIO-SECBINFHSA-N

LogP

3.014400000000001

Topological Polar Surface Area

75.63 Å²

Hydrogen Bond Donor/Acceptor

2 / 5

Complexity

427

Safety Information

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Hazard Statement

H302 Harmful if swallowed
Acute toxicity, oral

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

486460-00-8
(R)-N-Boc-3-Amino-4-(2,4,5-trifluorophenyl)butanoic acid
(R)-3-t-butoxycarbonylamino-4-(2,4,5-trifluorophenyl)-butyric acid
AKOS016842487
BENZENEBUTANOIC ACID, BETA-[[(1,1-DIMETHYLETHOXY)CARBONYL]AMINO]-2,4,5-TRIFLUORO-, (BETAR)-
(R)-3-(tert-Butoxycarbonylamino)-4-(2,4,5-trifluorophenyl) butanoic acid
3-(Boc-amino)-4-(2,4,5-trifluorophenyl)butyric acid, (R)-
(R)-Boc-3-Amino-4-(2,4,5-Trifluorophenyl) butanoic acid
Benzenebutanoic acid, beta-(((1,1-dimethylethoxy)carbonyl)amino)-2,4,5-trifluoro-, (betaR)-
SCHEMBL342707
(3R)-3-(tert-butoxycarbonylamino)-4-(2,4,5-trifluorophenyl)butanoic acid
DTXSID70428050
(R)-3-(tert-butoxycarbonylamino)-4-(2,4,5-trifluorophenyl)n-butyric acid
(3R)-3-[(1,1-dimethylethoxycarbonyl)amino]4-(2,4,5-trifluorophenyl)butanoic acid
(3R)-3-[N-(TERT-BUTOXYCARBONYL)AMINO]-4-(2,4,5-TRIFLUOROPHENYL)BUTANOIC ACID
(3R)-3-tert-butoxycarbonylamino-4-(2,4,5-trifluoro-phenyl)-butanoic acid
(R)-3-[(tert-butoxycarbonyl)amino]-4-(2,4,5-trifluorophenyl)butanoic acid
Boc-(R)-3-Amino-4-(2,4,5-trifluoro-phenyl)-butyric acid
BCP22635
N-Boc-(R)-3-amino-4-(2,4,5-trifluorophenyl)butanoic acid
(R)-3-(TERT-BUTOXYCARBONYLAMINO)-4-(2,4,5-TRIFLUOROPHENYL)BUTANOIC ACID
(3r)-3-[(1,1-dimethylethoxycarbonyl)amino]4(2,4,5-trifluorophenyl)butanoic acid
(3R)-3-[(1,1-DIMETHYLETHOXYCARBONYL)AMINO]-4-(2,4,5-TRIFLUOROPHENYL)BUTANOIC ACID
MFCD06659147
UNII-2S9NWB23QS
Boc-(R)-3-Amino-4-(2,4,5-trifluorophenyl)butanoic acid
(r)-3-((t-butoxycarbonyl)amino)-4-(2,4,5-trifluorophenyl)butanoic acid
AMY6934
TUAXCHGULMWHIO-SECBINFHSA-N
(R)-3-t-butoxycarbonylamino-4-(2,4,5-trifluorophenyl)butanoic acid
(R)-3-[(tert-butoxycarbonyl)amino]-4-(2,4,5-trifluoro-phenyl)butanoic acid

MDL Number

MFCD06659147

Customs Code

2942000000

FAQ

What is (3R)-3-({[(2-Methyl-2-propanyl)oxy]carbonyl}amino)-4-(2,4,5-trifluorophenyl)butanoic acid (CAS: 486460-00-8)?

This compound is a butanoic acid derivative with a complex structure featuring a (3R) stereoconfiguration, a (2-methyl-2-propanyl)oxy group, and a 2,4,5-trifluorophenyl substituent. It has the molecular formula C14H17F3NO4 and is known for its specific chemical properties and applications in organic synthesis. Its structure includes ester and amino functionalities, contributing to its reactivity and utility in various chemical contexts.

What are the main uses of (3R)-3-({[(2-Methyl-2-propanyl)oxy]carbonyl}amino)-4-(2,4,5-trifluorophenyl)butanoic acid (CAS: 486460-00-8)?

This compound is primarily used in pharmaceutical research for the development of drugs targeting specific biological pathways. It also serves as an intermediate in the synthesis of other organic compounds, particularly those with fluorinated aromatic rings. Its unique structure makes it valuable in medicinal chemistry and as a building block for bioactive molecules.

Is (3R)-3-({[(2-Methyl-2-propanyl)oxy]carbonyl}amino)-4-(2,4,5-trifluorophenyl)butanoic acid (CAS: 486460-00-8) safe?

Safety data for this compound is primarily based on its use in controlled laboratory and industrial environments. It is generally considered safe when handled properly, but standard precautions should be taken, such as wearing personal protective equipment (PPE) and ensuring proper ventilation. It is advisable to follow safety guidelines specific to its application in research or pharmaceutical settings.

How should (3R)-3-({[(2-Methyl-2-propanyl)oxy]carbonyl}amino)-4-(2,4,5-trifluorophenyl)butanoic acid (CAS: 486460-00-8) be stored?

This compound should be stored in a cool, dry, and dark place, away from moisture and light. It is recommended to keep it in a sealed container at a temperature below 25°C and maintain low humidity conditions. Avoid exposure to air and ensure proper storage to preserve its chemical stability and integrity.