N~2~-{[(2-Methyl-2-propanyl)oxy]carbonyl}-N-9H-xanthen-9-yl-L-asparagine | CAS No. 65420-40-8

N~2~-{[(2-Methyl-2-propanyl)oxy]carbonyl}-N-9H-xanthen-9-yl-L-asparagine

Basic Information

CAS Number

65420-40-8

Molecular Formula

C22H24N2O6

Molecular Weight

412.44 g/mol

AD

Basic Physical Properties

Melting Point

~176 °C (dec.)

CC(C)(C)OC(=O)NC(CC(=O)NC1C2=CC=CC=C2OC3=CC=CC=C13)C(=O)O

InChI

InChI=1S/C22H24N2O6/c1-22(2,3)30-21(28)23-15(20(26)27)12-18(25)24-19-13-8-4-6-10-16(13)29-17-11-7-5-9-14(17)19/h4-11,15,19H,12H2,1-3H3,(H,23,28)(H,24,25)(H,26,27)/t15-/m0/s1

InChIKey

YMGDQLXBNMRJMR-HNNXBMFYSA-N

LogP

3.3659000000000017

Topological Polar Surface Area

113.96000000000001 Ų

Hydrogen Bond Donor/Acceptor

3 / 8

Complexity

624

Safety Information

View Safety Information

Hazard Class

Class IRRITANT Class IRRITANT

Synonyms & References

English

  • AMY25341
  • N-ALFA-BOC-N-GAMMA-XANTHYL-L-ASPARAGINE
  • Nalpha-Boc-Nbeta-xanthenyl-L-asparagine, 96%
  • MFCD00066157
  • N-Boc-N'-xanthyl-L-asparagine
  • N-Alpha-t-Boc-N-beta-xanthyl-L-asparagine
  • AKOS016008669
  • FD21157
  • Boc-Asn(Xan)-OH
  • CS-0136341
  • 65420-40-8
  • L-Asparagine, N2-[(1,1-dimethylethoxy)carbonyl]-N-9H-xanthen-9-yl-
  • Nalpha-Boc-Nbeta-xanthenyl-L-asparagine
  • (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxo-4-(9H-xanthen-9-ylamino)butanoic acid
  • AS-48978
  • N-alpha-t-Butyloxycarbonyl-L-N-beta-xantyl-asparagine (Boc-L-Asn(Xan)-OH)
  • N2-(tert-Butoxycarbonyl)-N4-(9H-xanthen-9-yl)-L-asparagine
  • Boc-Asn(Xan)-OH, >=98.0% (sum of enantiomers, TLC)
  • (S)-4-((9H-Xanthen-9-yl)amino)-2-((tert-butoxycarbonyl)amino)-4-oxobutanoic acid
  • Boc-L-Asn(Xan)-OH
  • BOC-N-BETA-XANTHYL-L-ASPARAGINE
  • Boc-Asn-(Xan)-OH

MDL Number

MFCD00066157

FAQ

What are the physical and chemical properties of N~2~-{[(2-Methyl-2-propanyl)oxy]carbonyl}-N-9H-xanthen-9-yl-L-asparagine (CAS: 65420-40-8)?

N~2~-{[(2-Methyl-2-propanyl)oxy]carbonyl}-N-9H-xanthen-9-yl-L-asparagine is a white crystalline solid with a molecular weight of approximately 516.5 g/mol. It is poorly soluble in water but more soluble in organic solvents like methanol and ethanol. The compound exhibits moderate reactivity towards nucleophiles and is stable under normal storage conditions. It can be hydrolyzed under acidic or basic conditions.

How is N~2~-{[(2-Methyl-2-propanyl)oxy]carbonyl}-N-9H-xanthen-9-yl-L-asparagine (CAS: 65420-40-8) typically synthesized?

N~2~-{[(2-Methyl-2-propanyl)oxy]carbonyl}-N-9H-xanthen-9-yl-L-asparagine is typically synthesized through a multi-step process involving the condensation of 9H-xanthen-9-yl-L-aspartic acid with 2-methyl-2-propanol followed by carbonylation. This process requires the use of a transition metal catalyst and proceeds with high selectivity and good yield.

What industries use N~2~-{[(2-Methyl-2-propanyl)oxy]carbonyl}-N-9H-xanthen-9-yl-L-asparagine (CAS: 65420-40-8)?

N~2~-{[(2-Methyl-2-propanyl)oxy]carbonyl}-N-9H-xanthen-9-yl-L-asparagine is primarily used in the pharmaceutical industry for the development of novel drug candidates. It may also find applications in polymer synthesis and as a component in certain analytical sensors due to its structural complexity and functional groups.

What precautions should be taken when handling N~2~-{[(2-Methyl-2-propanyl)oxy]carbonyl}-N-9H-xanthen-9-yl-L-asparagine (CAS: 65420-40-8)?

When handling N~2~-{[(2-Methyl-2-propanyl)oxy]carbonyl}-N-9H-xanthen-9-yl-L-asparagine, it is important to wear appropriate personal protective equipment (PPE) such as gloves and safety goggles. Work should be conducted in a well-ventilated environment or a fume hood to minimize inhalation risks. In case of spill, neutralize with sodium bicarbonate and dispose of in accordance with local regulations. Always consult the Safety Data Sheet (SDS) for detailed handling instructions.

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