Fmoc-2,3-dehydroval-OH

Basic Information

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CAS Number

198546-38-2

Molecular Formula

C20H19NO4

Molecular Weight

337.38 g/mol

Basic Physical Properties

SMILES

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

InChI

InChI=1S/C20H19NO4/c1-12(2)18(19(22)23)21-20(24)25-11-17-15-9-5-3-7-13(15)14-8-4-6-10-16(14)17/h3-10,17H,11H2,1-2H3,(H,21,24)(H,22,23)

InChIKey

IYVIIHAWJFLOAR-UHFFFAOYSA-N

LogP

3.9036000000000035

Topological Polar Surface Area

75.63000000000001 Å²

Hydrogen Bond Donor/Acceptor

2 / 5

Complexity

530

Synonyms & References

English

2-Butenoic acid, 2-[[(9H-fluoren-9-ylmethoxy)carbonyl]amino]-3-methyl-
FMOC-2,3-DEHYDRO-VALINE
Fmoc-2,3-dehydroVal-OH
FMOC-DELTA-VAL-OH
FMOC-2,3-DEHYDRO-VAL-OH
FMOC-ALPHA,BETA-DEHYDRO-VAL-OH
FMOC-ALPHA,BETA-DEHYDRO-VALINE
(9H-Fluoren-9-yl)MethOxy]Carbonyl 2,3-Dehydro-Ala-OH
N-ALPHA-(9-FLUORENYLMETHYLOXYCARBONYL)-2,3-DEHYDRO-VALINE
MFCD00235842
CS-0333697
N-Fmoc-2,3-didehydro-valine
SCHEMBL14123125
Fmoc-2,3-dehydroval-OH
198546-38-2
2-((((9H-fluoren-9-yl)methoxy)carbonyl)amino)-3-methylbut-2-enoic acid
AKOS030212466
Fmoc-2,3-dehydro-Valine
AS-58074
E70512
2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-methylbut-2-enoic acid
2-({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)-3-methylbut-2-enoic acid
N-alpha-(9-Fluorenylmethyloxycarbonyl)-2,3-dehydro-valine (Fmoc-2,3-dehydroVal-OH)

MDL Number

MFCD00235842

FAQ

What are the physical and chemical properties of Fmoc-2,3-dehydroval-OH (CAS: 198546-38-2)?

Fmoc-2,3-dehydroval-OH (CAS: 198546-38-2) is a white to off-white solid with a molecular weight of approximately 305.4 g/mol. It is slightly soluble in water and more soluble in organic solvents like methanol and acetonitrile. The compound is reactive due to the presence of the hydroxyl group, which can participate in various chemical reactions such as esterification and conjugation.

How is Fmoc-2,3-dehydroval-OH (CAS: 198546-38-2) typically synthesized?

Fmoc-2,3-dehydroval-OH is typically synthesized via a multi-step process starting from valine. The key steps involve dehydrogenation of valine to form 2,3-dehydrovaline and subsequent coupling with the Fmoc group. The reaction is catalyzed by suitable reagents, and the process yields a high purity product with good selectivity and yield.

What industries use Fmoc-2,3-dehydroval-OH (CAS: 198546-38-2)?

Fmoc-2,3-dehydroval-OH (CAS: 198546-38-2) finds application in pharmaceutical industries for the synthesis of peptidomimetics and drug intermediates. It is also used in the polymer and coating industries for functionalizing polymers and in sensor technology for developing biosensors. Additionally, it plays a role in the semiconductor industry as a precursor for organic semiconductors.

What precautions should be taken when handling Fmoc-2,3-dehydroval-OH (CAS: 198546-38-2)?

When handling Fmoc-2,3-dehydroval-OH (CAS: 198546-38-2), it is essential to wear appropriate personal protective equipment (PPE) such as gloves, goggles, and a lab coat. Work should be conducted in a well-ventilated area or fume hood due to potential volatilization. Spills should be cleaned up with appropriate solvents, and the area should be thoroughly decontaminated. Always refer to the Material Safety Data Sheet (MSDS) for detailed safety information and emergency procedures.