Methyl (S)-(+)-3-Hydroxy-2-methylpropionate - CAS 80657-57-4
Catalog: |
BB036533 |
Product Name: |
Methyl (S)-(+)-3-Hydroxy-2-methylpropionate |
CAS: |
80657-57-4 |
Synonyms: |
(2S)-3-hydroxy-2-methylpropanoic acid methyl ester; methyl (2S)-3-hydroxy-2-methylpropanoate |
IUPAC Name: | methyl (2S)-3-hydroxy-2-methylpropanoate |
Description: | Methyl (S)-(+)-3-Hydroxy-2-methylpropionate (CAS# 80657-57-4) is an intermediate used to prepare alkoxy- or alkylamino-substituted isoindolinones as inhibitors of the MDM2-p53 protein-protein interaction. It is also used in the synthesis of aliskiren (46, CGP060536B, SPP100), a highly potent, selective inhibitor of renin used for the treatment of hypertension. |
Molecular Weight: | 118.13 |
Molecular Formula: | C5H10O3 |
Canonical SMILES: | CC(CO)C(=O)OC |
InChI: | InChI=1S/C5H10O3/c1-4(3-6)5(7)8-2/h4,6H,3H2,1-2H3/t4-/m0/s1 |
InChI Key: | ATCCIZURPPEVIZ-BYPYZUCNSA-N |
Boiling Point: | 74 °C (12 torr) |
Density: | 1.071 g/mL at 25°C(lit.) |
Appearance: | Colorless liquid |
MDL: | MFCD00064520 |
LogP: | -0.21220 |
Publication Number | Title | Priority Date |
WO-2021062089-A1 | Xanthine cb1 inhibitors | 20190925 |
TW-202043206-A | 15-PGDH inhibitor | 20190108 |
CN-113226310-A | 15-PGDH inhibitors | 20190108 |
KR-20210113598-A | 15-PGDH inhibitor | 20190108 |
WO-2019211877-A1 | Process for the preparation of macrocyclic ketone analogs of halichondrin b | 20180503 |
PMID | Publication Date | Title | Journal |
22313781 | 20120101 | Metathesis-mediated synthesis of (R)-10-methyl-2-tridecanone, the southern corn rootworm pheromone | Bioscience, biotechnology, and biochemistry |
20035562 | 20100101 | Stereocontrolled synthesis of C1-C17 fragment of narasin via a free radical-based approach | Organic letters |
15989326 | 20050708 | Total synthesis of polycavernoside A, a lethal toxin of the red alga Polycavernosa tsudai | The Journal of organic chemistry |
Complexity: | 79.7 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 1 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 118.062994177 |
Formal Charge: | 0 |
Heavy Atom Count: | 8 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 118.062994177 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 46.5 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | -0.1 |
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