4-Benzyl 1-(4-nitrophenyl) N-{[(2-methyl-2-propanyl)oxy]carbonyl}-L-aspartate | CAS No. 26048-69-1

4-Benzyl 1-(4-nitrophenyl) N-{[(2-methyl-2-propanyl)oxy]carbonyl}-L-aspartate

Basic Information

CAS Number

26048-69-1

Molecular Formula

C22H24N2O8

Molecular Weight

444.4 g/mol

AD

Basic Physical Properties

Melting Point

106 ºC

CC(C)(C)OC(=O)NC(CC(=O)OCC1=CC=CC=C1)C(=O)OC2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C22H24N2O8/c1-22(2,3)32-21(27)23-18(13-19(25)30-14-15-7-5-4-6-8-15)20(26)31-17-11-9-16(10-12-17)24(28)29/h4-12,18H,13-14H2,1-3H3,(H,23,27)/t18-/m0/s1

InChIKey

GKRBDGLUYWLXAX-SFHVURJKSA-N

LogP

4.44110

Complexity

656

Synonyms & References

English

  • (S)-4-benzyl 1-(4-nitrophenyl) 2-(tert-butoxycarbonylamino)succinate
  • 4-O-benzyl 1-O-(4-nitrophenyl) (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanedioate
  • Boc-L-Asp(Bzl)-ONp
  • CS-0336143
  • AS-74488
  • 1-benzyl 4-nitrophenyl (3S)-3-{[(tert-butoxy)carbonyl]amino}butanedioate
  • Boc-L-Aspartic acid 4-benzyl 1-(4-nitrophenyl)ester
  • 4-Benzyl 1-(4-nitrophenyl) (tert-butoxycarbonyl)-L-aspartate
  • N-alpha-t-Butyloxycarbonyl-L-aspartic acid beta-benZyl ester alpha-p-nitrophenyl ester (Boc-L-Asp(OBZl)-ONp)
  • AKOS024386371
  • MFCD00038122
  • 26048-69-1
  • 4-Benzyl 1-(4-nitrophenyl) N-(tert-butoxycarbonyl)-L-aspartate
  • Boc-Asp(OBzl)-ONp
  • L-Aspartic acid, N-[(1,1-dimethylethoxy)carbonyl]-, 1-(4-nitrophenyl) 4-(phenylmethyl) ester
  • DTXSID00446267
  • Boc-L-Aspartic Acid 4-Benzyl 1-(4-Nitrophenyl)Ester
  • 4-nitrophenyl phenylmethyl (2S)-2-[(tert-butoxy)carbonylamino]butane-1,4-dioat e
  • AG-E-81026
  • Asparticacid, N-carboxy-, 4-benzyl N-tert-butylp-nitrophenyl ester, L- (8CI)
  • N-(tert-Butyloxycarbonyl)aspartic acid b-benzyl p-nitrophenyl ester
  • N-(tert-Butyloxycarbonyl)-L-asparticacid 4-benzyl p-nitrophenyl ester
  • PubChem14930
  • ST5

MDL Number

MFCD00038122

Customs Code

2924299090

FAQ

What are the physical and chemical properties of 4-Benzyl 1-(4-nitrophenyl) N-{[(2-methyl-2-propanyl)oxy]carbonyl}-L-aspartate (CAS: 26048-69-1)?

4-Benzyl 1-(4-nitrophenyl) N-{[(2-methyl-2-propanyl)oxy]carbonyl}-L-aspartate (CAS: 26048-69-1) is a crystalline solid with a molecular weight of approximately 425.37 g/mol. It has a solubility in water of about 100 mg/L and is reactive towards basic conditions. This compound exhibits good stability under normal storage conditions but requires protection from moisture and light.

How is 4-Benzyl 1-(4-nitrophenyl) N-{[(2-methyl-2-propanyl)oxy]carbonyl}-L-aspartate (CAS: 26048-69-1) typically synthesized?

4-Benzyl 1-(4-nitrophenyl) N-{[(2-methyl-2-propanyl)oxy]carbonyl}-L-aspartate (CAS: 26048-69-1) is synthesized through a multi-step process involving the condensation of aspartic acid with 4-nitrophenyl chloride, followed by benzylation and protection with a methyl propanol carbonate group. Commonly used solvents include dichloromethane and acetonitrile, with catalysts like triethylamine facilitating the reaction. The overall yield is typically around 70-80%.

What industries use 4-Benzyl 1-(4-nitrophenyl) N-{[(2-methyl-2-propanyl)oxy]carbonyl}-L-aspartate (CAS: 26048-69-1)?

4-Benzyl 1-(4-nitrophenyl) N-{[(2-methyl-2-propanyl)oxy]carbonyl}-L-aspartate (CAS: 26048-69-1) is primarily used in the pharmaceutical industry for the synthesis of certain drugs. It also has applications in the polymer industry for the development of advanced materials with specific functional groups. Additionally, it is relevant in the production of sensors and semiconductors due to its chemical versatility and reactivity.

What precautions should be taken when handling 4-Benzyl 1-(4-nitrophenyl) N-{[(2-methyl-2-propanyl)oxy]carbonyl}-L-aspartate (CAS: 26048-69-1)?

When handling 4-Benzyl 1-(4-nitrophenyl) N-{[(2-methyl-2-propanyl)oxy]carbonyl}-L-aspartate (CAS: 26048-69-1), it is essential to wear appropriate personal protective equipment (PPE), including gloves, goggles, and a lab coat. Work in a well-ventilated area, such as a fume hood, to minimize inhalation risks. Spills should be handled with caution using absorbent materials and followed by thorough cleanup. Always refer to the Safety Data Sheet (SDS) for detailed handling and disposal instructions.

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