N~6~-[1-(4,4-Dimethyl-2,6-dioxocyclohexylidene)-3-methylbutyl]-N~2~-[(9H-fluoren-9-ylmethoxy)carbonyl]-L-lysine | CAS No. 204777-78-6

N~6~-[1-(4,4-Dimethyl-2,6-dioxocyclohexylidene)-3-methylbutyl]-N~2~-[(9H-fluoren-9-ylmethoxy)carbonyl]-L-lysine

Basic Information

CAS Number

204777-78-6

Molecular Formula

C34H42N2O6

Molecular Weight

574.72 g/mol

AD

Basic Physical Properties

Boiling Point

765.6°C at 760 mmHg

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

InChI

InChI=1S/C34H42N2O6/c1-21(2)17-28(31-29(37)18-34(3,4)19-30(31)38)35-16-10-9-15-27(32(39)40)36-33(41)42-20-26-24-13-7-5-11-22(24)23-12-6-8-14-25(23)26/h5-8,11-14,21,26-27,35H,9-10,15-20H2,1-4H3,(H,36,41)(H,39,40)/t27-/m0/s1

InChIKey

PYCBVLUBTMHNPW-MHZLTWQESA-N

LogP

5.996600000000005

Topological Polar Surface Area

121.79999999999998 Ų

Hydrogen Bond Donor/Acceptor

3 / 8

Complexity

1020

Safety Information

View Safety Information

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

  • AS-19665
  • 204777-78-6
  • CID 11071922
  • N-alpha-Fmoc-N-epsilon-[1-(4,4-dimethyl-2,6-dioxocyclohex-1-ylidene)-3-methylbutyl]-L-lysine (Fmoc-L-Lys(ivDde)-OH)
  • N2-Fmoc-N6-1-(4,4-dimethyl-2,6-dioxocyclohex-1-ylidene)-3-methylbutyl-L-lysine
  • CS-W011448
  • AKOS015895471
  • Fmoc-Lys(ivDde)
  • Fmoc-Lys(Ddiv)-OH, >=96.0% (HPLC)
  • DTXSID40454104
  • Fmoc-L-Lys(Ivdde)-OH
  • Fmoc-Lys(Ddiv)-OH
  • AKOS015837177
  • N2-(((9H-Fluoren-9-yl)methoxy)carbonyl)-N6-(1-(4,4-dimethyl-2,6-dioxocyclohexylidene)-3-methylbutyl)-L-lysine
  • A814593
  • M06254
  • SCHEMBL178768
  • HY-W010732
  • A-1-(4,4-dimethyl-2,6-dioxocyclohex-1 -ylidene)-3-methylbutyl-L-lysine
  • F10750
  • (2S)-2-(9H-Fuoren-9-ylmethoxycarbonylamino)-6-[[1-(2-hydroxy-4,4-dimethyl-6-oxocyclohexen-1-yl)-3-methylbutylidene]amino]hexanoic acid
  • Fmoc-Lys(IvDde)-OH
  • (2S)-6-[[1-(4,4-dimethyl-2,6-dioxocyclohexylidene)-3-methylbutyl]amino]-2-(9H-fluoren-9-ylmethoxycarbonylamino)hexanoic acid
  • AM10131
  • (S)-2-(((9H-fluoren-9-yl)methoxy)carbonylamino)-6-(1-(4,4-dimethyl-2,6-dioxocyclohexylidene)-3-methylbutylamino)hexanoic acid
  • MFCD01631658
  • (S)-2-((((9H-Fluoren-9-yl)methoxy)carbonyl)amino)-6-((1-(4,4-dimethyl-2,6-dioxocyclohexylidene)-3-methylbutyl)amino)hexanoic acid
  • J-013346
  • PYCBVLUBTMHNPW-MHZLTWQESA-N
  • N-
  • (2S)-6-{[1-(4,4-dimethyl-2,6-dioxocyclohexylidene)-3-methylbutyl]amino}-2-({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)hexanoic acid

MDL Number

MFCD01631658

FAQ

What are the physical and chemical properties of N~6~-[1-(4,4-Dimethyl-2,6-dioxocyclohexylidene)-3-methylbutyl]-N~2~-[(9H-fluoren-9-ylmethoxy)carbonyl]-L-lysine (CAS: 204777-78-6)?

N~6~-[1-(4,4-Dimethyl-2,6-dioxocyclohexylidene)-3-methylbutyl]-N~2~-[(9H-fluoren-9-ylmethoxy)carbonyl]-L-lysine is a crystalline compound with a molecular weight around 800 Da. It has low water solubility and is moderately reactive towards nucleophiles. The compound exhibits good stability under neutral conditions and is sensitive to strong acids and bases.

How is N~6~-[1-(4,4-Dimethyl-2,6-dioxocyclohexylidene)-3-methylbutyl]-N~2~-[(9H-fluoren-9-ylmethoxy)carbonyl]-L-lysine (CAS: 204777-78-6) typically synthesized?

N~6~-[1-(4,4-Dimethyl-2,6-dioxocyclohexylidene)-3-methylbutyl]-N~2~-[(9H-fluoren-9-ylmethoxy)carbonyl]-L-lysine is synthesized through multistep reactions involving coupling of a fluorenylmethyloxycarbonyl (FMOC) protected amino acid with a specific cyclohexanone derivative. The synthesis typically requires the use of coupling agents like HATU and bases such as DIPEA. The yield and selectivity can be improved by optimizing reaction conditions and using appropriate protecting groups.

What industries use N~6~-[1-(4,4-Dimethyl-2,6-dioxocyclohexylidene)-3-methylbutyl]-N~2~-[(9H-fluoren-9-ylmethoxy)carbonyl]-L-lysine (CAS: 204777-78-6)?

N~6~-[1-(4,4-Dimethyl-2,6-dioxocyclohexylidene)-3-methylbutyl]-N~2~-[(9H-fluoren-9-ylmethoxy)carbonyl]-L-lysine is primarily used in the pharmaceutical industry for drug synthesis. It also finds applications in the development of sensors and in the field of organic semiconductor materials, where its unique chemical structure and reactivity are advantageous.

What precautions should be taken when handling N~6~-[1-(4,4-Dimethyl-2,6-dioxocyclohexylidene)-3-methylbutyl]-N~2~-[(9H-fluoren-9-ylmethoxy)carbonyl]-L-lysine (CAS: 204777-78-6)?

When handling N~6~-[1-(4,4-Dimethyl-2,6-dioxocyclohexylidene)-3-methylbutyl]-N~2~-[(9H-fluoren-9-ylmethoxy)carbonyl]-L-lysine, it is crucial to wear appropriate personal protective equipment (PPE) such as gloves, goggles, and a lab coat. Operations should be conducted in a well-ventilated fume hood. Spills should be cleaned up using appropriate absorbents, and the area should be thoroughly ventilated. For safety information, always refer to the Material Safety Data Sheet (MSDS/SDS).

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