(3S)-3-{[(9H-Fluoren-9-ylmethoxy)carbonyl]amino}-4-[(2-methyl-2-propanyl)oxy]-4-oxobutanoic acid

Basic Information

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CAS Number

129460-09-9

Molecular Formula

C23H25NO6

Molecular Weight

411.45 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Esters

Basic Chemical Raw Materials Organic Chemicals Ethers

Fine Chemicals Dyes and Pigments Organic Dyes

Fine Chemicals Surfactants Anionic Surfactants

Basic Physical Properties

Physical State

White to Yellow Solid

Melting Point

105-111°C

Boiling Point

617.4℃ at 760 mmHg

Density

1.2510

Flash Point

327.2±31.5 °C

Refractive Index

1.576

Specific Rotation

-20° to -28° (c=1, DMF)

SMILES

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CC(C)(C)OC(=O)C(CC(=O)O)NC(=O)OCC1C2=CC=CC=C2C3=CC=CC=C13

InChI

InChI=1S/C23H25NO6/c1-23(2,3)30-21(27)19(12-20(25)26)24-22(28)29-13-18-16-10-6-4-8-14(16)15-9-5-7-11-17(15)18/h4-11,18-19H,12-13H2,1-3H3,(H,24,28)(H,25,26)/t19-/m0/s1

InChIKey

VZXQYACYLGRQJU-IBGZPJMESA-N

LogP

3.7101000000000015

Topological Polar Surface Area

101.93000000000002 Å²

Hydrogen Bond Donor/Acceptor

2 / 7

Complexity

620

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

MFCD00065631
L-Fmoc-Aspartic acid
(S)-3-(((9H-fluoren-9-yl)methoxy)carbonylamino)-4-tert-butoxy-4-oxobutanoic acid
AC-6592
N-Fmoc-L-aspartic Acid 1-tert-Butyl Ester
SCHEMBL2313063
L-Fmoc-aspartic acid a-tert-butyl ester
Fmoc-L-Asp-OtBu
Fmoc Asp-OtBu
J-300078
DTXSID20426920
AKOS015922864
AS-15816
129460-09-9
N-[(9H-Fluoren-9-ylmethoxy)carbonyl]-L-aspartic Acid 1-tert-Butyl Ester
Fmoc-Asp(OH)-OtBu
A-(tert)-butyl ester
AKOS032960715
1-tert-Butyl N-[(9H-Fluoren-9-ylmethoxy)carbonyl]-L-aspartate
n-alpha-fmoc-l-aspartic acid alpha-t-butyl ester
(R)-2-(((9H-fluoren-9-yl)methoxy)carbonyl)-2-tert-butylsuccinic acid;Fmoc-Asp(OH)-OtBu
HY-W010959
L-Fmoc-aspartic acid alpha-t-butyl ester
EN300-1556502
AMY22604
CS-W011675
F0503
fmoc-asp-otbu, AldrichCPR
L-Aspartic acid, N-[(9H-fluoren-9-ylmethoxy)carbonyl]-, 1-(1,1-dimethylethyl) ester
(S)-3-((((9H-Fluoren-9-yl)methoxy)carbonyl)amino)-4-(tert-butoxy)-4-oxobutanoic acid
VZXQYACYLGRQJU-IBGZPJMESA-N

MDL Number

MFCD00065631

FAQ

What regulatory guidelines apply to (3S)-3-{[(9H-Fluoren-9-ylmethoxy)carbonyl]amino}-4-[(2-methyl-2-propanyl)oxy]-4-oxobutanoic acid (CAS: 129460-09-9)?

This compound is subject to various regulatory guidelines, including those outlined in the Globally Harmonized System of Classification and Labelling of Chemicals (GHS) for proper labeling and safety data sheets. In the European Union, it falls under REACH regulations for the registration of chemicals. For the United States, it is regulated by the FDA for pharmaceutical use and the EPA for environmental protection. Always consult the most recent regulatory guidelines for specific requirements.

Are there alternatives to (3S)-3-{[(9H-Fluoren-9-ylmethoxy)carbonyl]amino}-4-[(2-methyl-2-propanyl)oxy]-4-oxobutanoic acid (CAS: 129460-09-9) in synthesis?

Yes, there are alternatives to this compound in synthesis. Common substitutes include chemically similar carboxylic acids or their derivatives. For example, using (3R)-3-{[(9H-Fluoren-9-ylmethoxy)carbonyl]amino}-4-[(2-methyl-2-propanyl)oxy]-4-oxobutanoic acid or (3S)-3-{[(9H-Fluoren-9-ylmethoxy)carbonyl]amino}-4-hydroxybutanoic acid can be viable alternatives depending on the specific reaction conditions and desired product properties.

What is the market or research trend for (3S)-3-{[(9H-Fluoren-9-ylmethoxy)carbonyl]amino}-4-[(2-methyl-2-propanyl)oxy]-4-oxobutanoic acid (CAS: 129460-09-9)?

The market for this compound is growing due to its use in pharmaceutical and biochemical research. Research trends indicate increased interest in its application as a precursor in medicinal chemistry. Market demand is expected to rise with advancements in drug discovery and development. However, the specific research trends and demand may vary based on current pharmaceutical industry needs and emerging technologies.

How should waste containing (3S)-3-{[(9H-Fluoren-9-ylmethoxy)carbonyl]amino}-4-[(2-methyl-2-propanyl)oxy]-4-oxobutanoic acid (CAS: 129460-09-9) be handled?

Waste containing this compound should be handled in accordance with local and international environmental regulations. Collect waste liquids in appropriate containers and ensure proper incineration or professional waste disposal services are used. Environmental protection precautions include minimizing exposure to air and water during handling, and wearing appropriate personal protective equipment. Always refer to the material safety data sheet (MSDS) for specific disposal instructions and safety measures.