Methyl (E)-2-Phenyldiazene-1-carboxylate - CAS 2207-96-7
Catalog: |
BB076271 |
Product Name: |
Methyl (E)-2-Phenyldiazene-1-carboxylate |
CAS: |
2207-96-7 |
Synonyms: |
methyl phenyldiazene carboxylate |
IUPAC Name: | methyl N-phenyliminocarbamate |
Description: | Methyl (E)-2-Phenyldiazene-1-carboxylate can be useful in diastereoselective preparation of hexahydrocyclopentapyrazoledi- and tricarboxylates by phosphine-catalyzed cascade annulation of Morita-Baylis-Hillman Boc carbonates and aryldiazenes. |
Molecular Weight: | 164.16 |
Molecular Formula: | C8H8N2O2 |
Canonical SMILES: | COC(=O)N=NC1=CC=CC=C1 |
InChI: | InChI=1S/C8H8N2O2/c1-12-8(11)10-9-7-5-3-2-4-6-7/h2-6H,1H3 |
InChI Key: | SYWIXHZXHQDFOO-UHFFFAOYSA-N |
References: | Li, H., et al. : Org. Lett., 23, 5571 (2021). |
Complexity: | 174 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 164.058577502 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 164.058577502 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 51Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.3 |
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