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Home> Encyclopedia >Pharmaceutical Intermediates>Laboratory Chemicals
Z-PRO-ONP structure
Z-PRO-ONP structure

Z-PRO-ONP

Iupac Name:1-O-benzyl 2-O-(4-nitrophenyl) (2S)-pyrrolidine-1,2-dicarboxylate
CAS No.: 3304-59-4
Molecular Weight:370.36
Modify Date.: 2022-11-29 11:12
Introduction:

Pale yellow crystals

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1. Names and Identifiers
1.1 Name
Z-PRO-ONP
1.2 Synonyms

(S)-1-Benzyl 2-(4-nitrophenyl) pyrrolidine-1,2-dicarboxylate 1,2-Pyrrolidinedicarboxylic acid, 1-benzyl p-nitrophenyl ester, L- 1,2-Pyrrolidinedicarboxylic acid, 2-(4-nitrophenyl) 1-(phenylmethyl) ester, (2S)- 1,2-Pyrrolidinedicarboxylic acid, 2-(4-nitrophenyl) 1-(phenylmethyl) ester, (S)- 1-Benzyl 2-(4-nitrophenyl) (2S)-1,2-pyrrolidinedicarboxylate 1-Benzyl 2-(4-nitrophenyl) (2S)-pyrrolidine-1,2-dicarboxylate 1-O-Benzyl 2-O-(4-nitrophenyl) (2S)-pyrrolidine-1,2-dicarboxylate 2-(4-Nitrophenyl) 1-(phenylmethyl) (2S)-1,2-pyrrolidinedicarboxylate BENZYLOXYCARBONYL-L-PROLINE 4-NITROPHENYL ESTER benzyloxycarbonyl-L-proline p-nitrophenyl ester CARBOBENZYLOXY-L-PROLINE 4-NITROPHENYL ESTER Carbobenzyloxy-L-proline p-nitrophenyl ester carbobenzyloxy-l-prolinep-nitrophenylester carbobenzyloxy-l-prolinp-nitrophenylester EINECS 221-981-3 L-Proline, carbobenzyloxy-, p-nitrophenyl ester MFCD00020828 N-(Benzyloxycarbonyl)-L-proline 4-nitrophenyl ester N-(Benzyloxycarbonyl)-L-proline p-nitrophenyl ester N-benzyloxycarbonyl-L-proline p-nitrophenyl ester N-carbobenzoxy-DL-proline p-nitrophenyl ester N-Carbobenzoxy-L-proline p-nitrophenyl ester N-CARBOBENZOXY-L-PROLINE-P-NITROPHENYL ESTER N-Carbobenzoxy-S-proline-p-nitrophenylester N-CBZ-L-PROLINE P-NITROPHENYL ESTER P-NITROPHENYLCARBOBENZOXY-L-PROLINE Z-L-PROLINE 4-NITROPHENYL ESTER Z-L-PROLINE NITROPHENYL ESTER Z-L-Pro-ONp Z-PROLINE-ONP

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1.3 CAS No.
3304-59-4
1.4 CID
10133728
1.5 EINECS(EC#)
221-981-3
1.6 Molecular Formula
C19H18N2O6 (isomer)
1.7 Inchi
InChI=1S/C19H18N2O6/c22-18(27-16-10-8-15(9-11-16)21(24)25)17-7-4-12-20(17)19(23)26-13-14-5-2-1-3-6-14/h1-3,5-6,8-11,17H,4,7,12-13H2/t17-/m0/s1
1.8 InChIkey
GXUFIJVKXYWCAO-KRWDZBQOSA-N
1.9 Canonical Smiles
C1CC(N(C1)C(=O)OCC2=CC=CC=C2)C(=O)OC3=CC=C(C=C3)[N+](=O)[O-]
1.10 Isomers Smiles
C1C[C@H](N(C1)C(=O)OCC2=CC=CC=C2)C(=O)OC3=CC=C(C=C3)[N+](=O)[O-]
2. Properties
2.1 Density
1.356
2.1 Melting point
94-95.5 °C
2.1 Boiling point
541.7 °C at 760 mmHg
2.1 Refractive index
1.611
2.1 Flash Point
281.4 °C
2.1 Precise Quality
370.11600
2.1 PSA
101.66000
2.1 logP
3.76250
2.1 Appearance
White to slightly yellow crystalline powder
2.2 Storage
2-8°C
2.3 Chemical Properties
Pale yellow crystals Z-PRO-ONPSupplier
2.4 Water Solubility
Soluble in methanol (2.5%-clear, colorless solution)
2.5 StorageTemp
2-8°C
3. Safety and Handling
3.1 RIDADR
NONH for all modes of transport
3.1 WGK Germany
3
3.1 RTECS
UY0750000
4. MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

no data available

2.2 GHS label elements, including precautionary statements

Pictogram(s) no data available
Signal word

no data available

Hazard statement(s)

no data available

Precautionary statement(s)
Prevention

no data available

Response

no data available

Storage

no data available

Disposal

no data available

2.3 Other hazards which do not result in classification

no data available

5. NMR Spectrum
6. Computational chemical data
  • Molecular Weight: 370.36g/mol
  • Molecular Formula: C19H18N2O6
  • Compound Is Canonicalized: True
  • XLogP3-AA: 3.5
  • Exact Mass: 370.11648630
  • Monoisotopic Mass: 370.11648630
  • Complexity: 535
  • Rotatable Bond Count: 6
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 6
  • Topological Polar Surface Area: 102
  • Heavy Atom Count: 27
  • Defined Atom Stereocenter Count: 1
  • Undefined Atom Stereocenter Count: 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Isotope Atom Count: 0
  • Covalently-Bonded Unit Count: 1
  • CACTVS Substructure Key Fingerprint: AAADceB7OAAAAAAAAAAAAAAAAAAAAWAAAAAwYAAAAAAAAAABQAAAHgAEAAAADCzhmAYwzoMQRACJAiTSWwCCCAAgIgAoiAGObIoOJjKEsbuPOiDkxhGY6Ae40SIOAEAAAAAAAAAAgAAAAAAAAAAAAAAAAA==
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