(2S)-4-{[2-(4,4-Dimethyl-2,6-dioxocyclohexylidene)ethyl]amino}-2-{[(9H-fluoren-9-ylmethoxy)carbonyl]amino}butanoic acid | CAS No. 235788-61-1

(2S)-4-{[2-(4,4-Dimethyl-2,6-dioxocyclohexylidene)ethyl]amino}-2-{[(9H-fluoren-9-ylmethoxy)carbonyl]amino}butanoic acid

Basic Information

CAS Number

235788-61-1

Molecular Formula

C29H32N2O6

Molecular Weight

504.58 g/mol

AD

Basic Physical Properties

CC(=NCCC(C(=O)O)NC(=O)OCC1C2=CC=CC=C2C3=CC=CC=C13)C4=C(CC(CC4=O)(C)C)O

InChI

InChI=1S/C29H32N2O6/c1-29(2)15-25(32)22(26(33)16-29)11-13-30-14-12-24(27(34)35)31-28(36)37-17-23-20-9-5-3-7-18(20)19-8-4-6-10-21(19)23/h3-11,23-24,30H,12-17H2,1-2H3,(H,31,36)(H,34,35)/t24-/m0/s1

InChIKey

NFCIJFBWDXNMRV-DEOSSOPVSA-N

LogP

3.8426000000000027

Topological Polar Surface Area

121.80000000000001 Ų

Hydrogen Bond Donor/Acceptor

3 / 8

Complexity

932

Synonyms & References

English

  • S-235788-61-1
  • (S)-2-((((9H-Fluoren-9-yl)methoxy)carbonyl)amino)-4-((1-(4,4-dimethyl-2,6-dioxocyclohexylidene)ethyl)amino)butanoic acid
  • DTXSID20673972
  • fmoc-(n-gamma-1-(4,4-dimethyl-2,6-dioxocyclohex-1-ylidene)ethyl)-l-alpha,gamma-diaminobutyric acid
  • (2S)-4-{[1-(4,4-Dimethyl-2,6-dioxocyclohexylidene)ethyl]amino}-2-({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)butanoic acid
  • (S)-2-(Fmoc-amino)-4-[[1-(4,4-dimethyl-2,6-dioxocyclohexylidene)ethyl]amino]butanoic Acid
  • AS-75120
  • (2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-4-[1-(2-hydroxy-4,4-dimethyl-6-oxocyclohexen-1-yl)ethylideneamino]butanoic acid
  • Butanoic acid, 4-[[1-(4,4-dimethyl-2,6-dioxocyclohexylidene)ethyl]amino]-2-[[(9H-fluoren-9-ylmethoxy)carbonyl]amino]-, (2S)-
  • AC5692
  • CS-0047631
  • Fmoc-Dab(Dde)-OH
  • AKOS022181405
  • 235788-61-1
  • Butanoic acid,4-[[1-(4,4-dimethyl-2,6-dioxocyclohexylidene)ethyl]amino]-2-[[(9H-fluoren-9-ylme...
  • Butanoic acid,4-[[1-(4,4-dimethyl-2,6-dioxocyclohexylidene)ethyl]amino]-2-[[(9H-fluoren-9-ylmethoxy)carbonyl]amino]-,(2S)-
  • Fmoc-(N-gamma-1-(4,4-dimethyl-2,6-dioxocyclohex-1-ylidene)ethyl)-L-alpha,gamma-diaminobutyric acid
  • Fmoc-L-Dab(Dde)-OH
  • (2S)-4-{[1-(4,4-dimethyl-2,6-dioxocyclohexylidene)ethyl]amino}-2-{[(9H-fluoren-9-ylmethoxy)carbonyl]amino}butanoic acid
  • AmbotzFAA1365

MDL Number

MFCD11111552

FAQ

What are the physical and chemical properties of (2S)-4-{[2-(4,4-Dimethyl-2,6-dioxocyclohexylidene)ethyl]amino}-2-{[(9H-fluoren-9-ylmethoxy)carbonyl]amino}butanoic acid (CAS: 235788-61-1)?

This compound is a white crystalline solid with a molecular weight of approximately 529.5 g/mol. It has limited aqueous solubility and moderate solubility in common organic solvents. Reactivity is moderate, with amine and acid functionalities. It is stable under normal conditions but should be stored away from moisture and heat to prevent degradation.

How is (2S)-4-{[2-(4,4-Dimethyl-2,6-dioxocyclohexylidene)ethyl]amino}-2-{[(9H-fluoren-9-ylmethoxy)carbonyl]amino}butanoic acid (CAS: 235788-61-1) typically synthesized?

This compound can be synthesized through multi-step processes involving amide coupling, cyclization, and protecting group chemistry. Commonly used reagents include fluorenylmethyloxycarbonyl (Fmoc) groups and various Lewis acids, with yields typically ranging from 50-70%. Detailed procedures are found in organic synthesis literature.

What industries use (2S)-4-{[2-(4,4-Dimethyl-2,6-dioxocyclohexylidene)ethyl]amino}-2-{[(9H-fluoren-9-ylmethoxy)carbonyl]amino}butanoic acid (CAS: 235788-61-1)?

This compound is primarily used in the pharmaceutical and polymer industries for its incorporation into complex organic molecules. It is also utilized in research for developing new materials and drug candidates due to its unique functional groups and structural complexity.

What precautions should be taken when handling (2S)-4-{[2-(4,4-Dimethyl-2,6-dioxocyclohexylidene)ethyl]amino}-2-{[(9H-fluoren-9-ylmethoxy)carbonyl]amino}butanoic acid (CAS: 235788-61-1)?

When handling this compound, wear appropriate personal protective equipment (PPE) including gloves, goggles, and a lab coat. Work in a fume hood to minimize exposure. Spills should be cleaned up immediately with care, using appropriate absorbents. Refer to the Safety Data Sheet (SDS) for detailed handling and disposal instructions. Store the compound in a cool, dry place away from heat sources and incompatible materials.

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