(R)-Benzyl 2-Hydroxy-4-phenylbutanoate - CAS 107832-06-4
Catalog: |
BB070789 |
Product Name: |
(R)-Benzyl 2-Hydroxy-4-phenylbutanoate |
CAS: |
107832-06-4 |
Synonyms: |
Benzyl (R)-2-hydroxy-4-phenylbutanoate; (R)-2-Hydroxy-4-phenylbutanoic acid benzyl ester |
IUPAC Name: | benzyl (2R)-2-hydroxy-4-phenylbutanoate |
Description: | (R)-Benzyl 2-Hydroxy-4-phenylbutanoate is an intermediate for the synthesis of (S)-Lisinopril Dimer (L469010), which is a (S)-Lisinopril (L468985) impurity. Lisinopril is an orally active angiotensin-converting enzyme (ACE) inhibitor. |
Molecular Weight: | 270.32 |
Molecular Formula: | C17H18O3 |
Canonical SMILES: | C1=CC=C(C=C1)CCC(C(=O)OCC2=CC=CC=C2)O |
InChI: | InChI=1S/C17H18O3/c18-16(12-11-14-7-3-1-4-8-14)17(19)20-13-15-9-5-2-6-10-15/h1-10,16,18H,11-13H2/t16-/m1/s1 |
InChI Key: | IVUUDHWOGKEQAN-MRXNPFEDSA-N |
Solubility: | Dichloromethane |
Appearance: | White Solid |
References: | Goa, K.L., et al. Drugs, 52, 564 (1996), Chaturvedi, N., et al. Lancet, 351, 28 (1998). |
Complexity: | 278 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 1 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 270.125594432 |
Formal Charge: | 0 |
Heavy Atom Count: | 20 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 270.125594432 |
Rotatable Bond Count: | 7 |
Topological Polar Surface Area: | 46.5Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.3 |
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