[S-(R*,R*)]-2-[1-ethyl-2-(phenylmethoxy)propyl]-1,1-dimethylethyl Ester Hydrazinecarboxylic Acid - CAS 184177-88-6
Catalog: |
BB066128 |
Product Name: |
[S-(R*,R*)]-2-[1-ethyl-2-(phenylmethoxy)propyl]-1,1-dimethylethyl Ester Hydrazinecarboxylic Acid |
CAS: |
184177-88-6 |
Synonyms: |
1,1-Dimethylethyl 2-[(1S,2S)-1-ethyl-2-(phenylmethoxy)propyl]hydrazinecarboxylate |
IUPAC Name: | tert-butyl N-[[(2S,3S)-2-phenylmethoxypentan-3-yl]amino]carbamate |
Description: | [S-(R*,R*)]-2-[1-ethyl-2-(phenylmethoxy)propyl]-1,1-dimethylethyl Ester Hydrazinecarboxylic Acid is used as a reagent in the preparation of triazolones. |
Molecular Weight: | 308.42 |
Molecular Formula: | C17H28N2O3 |
Canonical SMILES: | CCC(C(C)OCC1=CC=CC=C1)NNC(=O)OC(C)(C)C |
InChI: | InChI=1S/C17H28N2O3/c1-6-15(18-19-16(20)22-17(3,4)5)13(2)21-12-14-10-8-7-9-11-14/h7-11,13,15,18H,6,12H2,1-5H3,(H,19,20)/t13-,15-/m0/s1 |
InChI Key: | IJLZRIHVBSTUSD-ZFWWWQNUSA-N |
References: | Andrews, D. R., et al. PCT Int. Appl. (1996), WO 9633178 A1 19961024. |
Complexity: | 322 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 2 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 308.20999276 |
Formal Charge: | 0 |
Heavy Atom Count: | 22 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 308.20999276 |
Rotatable Bond Count: | 9 |
Topological Polar Surface Area: | 59.6Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.4 |
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