Isopropenyl (4-Nitrophenyl) Carbonate - CAS 96916-42-6
Catalog: |
BB060600 |
Product Name: |
Isopropenyl (4-Nitrophenyl) Carbonate |
CAS: |
96916-42-6 |
Synonyms: |
Isopropenyl p-Nitrophenyl Carbonate; 1-methylethenyl 4-nitrophenyl Carbonic Acid Ester |
IUPAC Name: | (4-nitrophenyl) prop-1-en-2-yl carbonate |
Description: | Isopropenyl (4-Nitrophenyl) Carbonate acts as a reagent in the synthesis of active esters of N-protected amino acids. Preparation of GABA analogs as prodrugs. |
Molecular Weight: | 223.18 |
Molecular Formula: | C10H9NO5 |
Canonical SMILES: | CC(=C)OC(=O)OC1=CC=C(C=C1)[N+](=O)[O-] |
InChI: | InChI=1S/C10H9NO5/c1-7(2)15-10(12)16-9-5-3-8(4-6-9)11(13)14/h3-6H,1H2,2H3 |
InChI Key: | RAYSDFXTXTZOJU-UHFFFAOYSA-N |
References: | Jaouadi, M., et al. Tetrahedron Lett., 26, 1721 (1985); Gallop, M. A., et al. PCT Int. Appl. (2002), WO 2002100347 A2 20021219. |
Complexity: | 288 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 223.04807239 |
Formal Charge: | 0 |
Heavy Atom Count: | 16 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 223.04807239 |
Rotatable Bond Count: | 4 |
Topological Polar Surface Area: | 81.4Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.8 |
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