N-[(9H-Fluoren-9-ylmethoxy)carbonyl]-L-alanyl-L-alanine

Basic Information

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CAS Number

87512-31-0

Molecular Formula

C21H22N2O5

Molecular Weight

382.42 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

175-179 ºC (ethyl acetate hexane )

Boiling Point

674.2±45.0°C at 760 mmHg

Density

1.280±0.06 g/cm3 (20 ºC 760 Torr),

SMILES

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

InChI

InChI=1S/C21H22N2O5/c1-12(19(24)22-13(2)20(25)26)23-21(27)28-11-18-16-9-5-3-7-14(16)15-8-4-6-10-17(15)18/h3-10,12-13,18H,11H2,1-2H3,(H,22,24)(H,23,27)(H,25,26)/t12-,13-/m0/s1

InChIKey

VXGGBPQPMISJCA-STQMWFEESA-N

LogP

2.5029000000000003

Topological Polar Surface Area

104.73 Å²

Hydrogen Bond Donor/Acceptor

3 / 7

Complexity

573

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

Synonyms & References

English

Fmoc-Ala-Ala-OH
(2S)-2-[[(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)propanoyl]amino]propanoic acid
(S)-2-((S)-2-((((9H-Fluoren-9-yl)methoxy)carbonyl)amino)propanamido)propanoic acid
Fmoc-L-Ala-L-Ala
N-Fmoc-L-alanyl-L-alanine
L-Alanine, N-[(9H-fluoren-9-ylmethoxy)carbonyl]-L-alanyl-
Fmoc-Dab(Ac)-OH
VXGGBPQPMISJCA-STQMWFEESA-N
3870AC
AX8130891
(((9H-Fluoren-9-yl)methoxy)carbonyl)-L-alanyl-L-alanine
N-{[(9H-Fluoren-9-yl)methoxy]carbonyl}-L-alanyl-L-alanine
(S)-2-((S)-2-(((9H-fluoren-9-yl)methoxy)carbonylamino)propanamido)propanoic acid
L-Alanine, N-[N-[(9H-fluoren-9-ylmethoxy)carbonyl]-L-alanyl]- (ZCI)
N-[(9H-Fluoren-9-ylmethoxy)carbonyl]-L-alanyl-L-alanine (ACI)

MDL Number

MFCD00190869

FAQ

What are the physical and chemical properties of N-[(9H-Fluoren-9-ylmethoxy)carbonyl]-L-alanyl-L-alanine (CAS: 87512-31-0)?

N-[(9H-Fluoren-9-ylmethoxy)carbonyl]-L-alanyl-L-alanine (CAS: 87512-31-0) is a crystalline compound. Its molecular weight is approximately 432.44 g/mol. It has moderate solubility in common organic solvents like methanol and chloroform. This compound is known for its stability and reactivity in organic reactions. It can undergo peptide bond formation and other amide reactions with good selectivity.

How is N-[(9H-Fluoren-9-ylmethoxy)carbonyl]-L-alanyl-L-alanine (CAS: 87512-31-0) typically synthesized?

N-[(9H-Fluoren-9-ylmethoxy)carbonyl]-L-alanyl-L-alanine (CAS: 87512-31-0) is synthesized through a multi-step process involving coupling reactions. Typically, the synthesis involves the formation of an N-acyl derivative of L-alanine, followed by coupling with the fluorenylmethyloxycarbonyl (Fmoc) protected L-alanine. The reaction is catalyzed by various reagents and is optimized for yield and purity. Common solvents include dichloromethane and triethylamine.

What industries use N-[(9H-Fluoren-9-ylmethoxy)carbonyl]-L-alanyl-L-alanine (CAS: 87512-31-0)?

N-[(9H-Fluoren-9-ylmethoxy)carbonyl]-L-alanyl-L-alanine (CAS: 87512-31-0) is primarily used in the pharmaceutical industry for the synthesis of peptides and as a building block in medicinal chemistry. It also finds applications in polymer science for the synthesis of functional polymers and in sensor technology for its stability and reactivity.

What precautions should be taken when handling N-[(9H-Fluoren-9-ylmethoxy)carbonyl]-L-alanyl-L-alanine (CAS: 87512-31-0)?

When handling N-[(9H-Fluoren-9-ylmethoxy)carbonyl]-L-alanyl-L-alanine (CAS: 87512-31-0), it is important to wear appropriate personal protective equipment (PPE) such as gloves, goggles, and a lab coat. Handle the compound in a fume hood to minimize exposure to potential vapors. In case of a spill, immediately clean the area with appropriate solvents and ensure proper disposal. Always refer to the Safety Data Sheet (SDS) for detailed handling and safety instructions.