(2S)-2-{[(9H-Fluoren-9-ylmethoxy)carbonyl]amino}-4-({[(2-methyl-2-propanyl)oxy]carbonyl}amino)butanoic acid

Basic Information

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CAS Number

125238-99-5

Molecular Formula

C24H28N2O6

Molecular Weight

440.5 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

Basic Physical Properties

Melting Point

111-113°C

Boiling Point

670.9℃ at 760 mmHg

Density

1.243

Water Solubility

Slightly soluble in water.

Flash Point

359.6℃

Refractive Index

1.575

Specific Rotation

-13.9° (c=0.50 in methanol)

SMILES

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CC(C)(C)OC(=O)NCC[C@H](NC(=O)OCC1c2ccccc2-c3ccccc13)C(=O)O

InChI

InChI=1S/C24H28N2O6/c1-24(2,3)32-22(29)25-13-12-20(21(27)28)26-23(30)31-14-19-17-10-6-4-8-15(17)16-9-5-7-11-18(16)19/h4-11,19-20H,12-14H2,1-3H3,(H,25,29)(H,26,30)(H,27,28)/t20-/m0/s1

InChIKey

LIWKOFAHRLBNMG-FQEVSTJZSA-N

LogP

3.8931000000000022

Topological Polar Surface Area

113.96000000000002 Å²

Hydrogen Bond Donor/Acceptor

3 / 8

Complexity

654

Safety Information

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Hazard Statement

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

Fmoc-Dab(Boc)
Fmoc-Dab(Boc)-OH
Fmoc-Dbu(Boc)-OH
Fmoc-4-Boc-L-2,4-diaminobutyric acid
Fmoc-L-2,4-Diaminobutyric acid(Boc)
(S)-4-(Boc-amino)-2-(Fmoc-amino)butyric acid
(S)-2-((((9H-Fluoren-9-yl)methoxy)carbonyl)amino)-4-((tert-butoxycarbonyl)amino)butanoic acid
Fmoc-(N-gamma-Boc)-L-alpha,gamma-diaminobutyric acid
Fmoc-(N-gamma-Boc)-L-alpha,gamma-diamino-butyric acid
Fmoc-Dab(Boc)-OH(Na-Fmoc-N4-Boc-2,4-Diaminobutyric acid)
Fmoc-Daba(Boc)-OH
Fmoc-L-Dab(Boc)-OH
N-α-Fmoc-N-γ-Boc-L-2,4-diaminobutyric acid
(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-4-[(2-methylpropan-2-yl)oxycarbonylamino]butanoic acid
FMOC-L-DAB(BOC)
RARECHEM EM WB 0101
FMoc-Nγ-Boc-L-2,4-diaMinobutyric acid
Fmoc-Dab(Boc)-OH 98%
Fmoc-Dab(Boc)-OH >=97.0% (HPLC)
(2S)-4-{[(tert-butoxy)carbonyl]amino}-2-({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)butanoic acid

MDL Number

MFCD00151941

Customs Code

2924299090

FAQ

What are the physical and chemical properties of (2S)-2-{[(9H-Fluoren-9-ylmethoxy)carbonyl]amino}-4-({[(2-methyl-2-propanyl)oxy]carbonyl}amino)butanoic acid (CAS: 125238-99-5)?

This compound is a white to off-white crystalline solid. It has a molecular weight of approximately 519.46 g/mol. It is poorly soluble in water but has good solubility in organic solvents like DMSO and DMF. The compound is chemically stable under normal conditions but can be sensitive to strong acids or bases. It exhibits moderate reactivity towards nucleophiles and electrophiles.

How is (2S)-2-{[(9H-Fluoren-9-ylmethoxy)carbonyl]amino}-4-({[(2-methyl-2-propanyl)oxy]carbonyl}amino)butanoic acid (CAS: 125238-99-5) typically synthesized?

The compound can be synthesized through multistep reactions involving coupling of fluorenylmethoxycarbonyl protected amino acids with 2-methyl-2-propanol via a carbonyl compound. Common methods include peptide coupling reactions using standard Fmoc chemistry and subsequent deprotection steps. Reaction conditions typically involve the use of appropriate bases and solvents to ensure high yields and selectivity.

What industries use (2S)-2-{[(9H-Fluoren-9-ylmethoxy)carbonyl]amino}-4-({[(2-methyl-2-propanyl)oxy]carbonyl}amino)butanoic acid (CAS: 125238-99-5)?

This compound is primarily used in the pharmaceutical industry for the synthesis of complex organic molecules and drug intermediates. It may also find applications in polymer chemistry, where its reactive functional groups can be utilized for polymerization reactions. In analytical chemistry, it can be used as a functional group in sensor development and as a building block in the fabrication of semiconductors.

What precautions should be taken when handling (2S)-2-{[(9H-Fluoren-9-ylmethoxy)carbonyl]amino}-4-({[(2-methyl-2-propanyl)oxy]carbonyl}amino)butanoic acid (CAS: 125238-99-5)?

Proper personal protective equipment (PPE) should be worn when handling this compound, including gloves, safety goggles, and a lab coat. Work should be conducted in a well-ventilated area or a fume hood to minimize inhalation risks. Spills should be immediately neutralized with an appropriate base or acid, followed by proper disposal. Always refer to the safety data sheet (SDS) for detailed handling and disposal procedures.