3-(Benzyloxy)-4-oxo-4H-pyran-2-carboxylic Acid - CAS 119736-16-2
Catalog: |
BB004621 |
Product Name: |
3-(Benzyloxy)-4-oxo-4H-pyran-2-carboxylic Acid |
CAS: |
119736-16-2 |
Synonyms: |
4-oxo-3-phenylmethoxy-2-pyrancarboxylic acid; 4-oxo-3-phenylmethoxypyran-2-carboxylic acid |
IUPAC Name: | 4-oxo-3-phenylmethoxypyran-2-carboxylic acid |
Description: | 3-(Benzyloxy)-4-oxo-4H-pyran-2-carboxylic Acid (CAS# 119736-16-2) is an intermediate in the synthesis of Dolutegravir (D528800), a second generation HIV-1 integrase strand transfer inhibitor. |
Molecular Weight: | 246.22 |
Molecular Formula: | C13H10O5 |
Canonical SMILES: | C1=CC=C(C=C1)COC2=C(OC=CC2=O)C(=O)O |
InChI: | InChI=1S/C13H10O5/c14-10-6-7-17-12(13(15)16)11(10)18-8-9-4-2-1-3-5-9/h1-7H,8H2,(H,15,16) |
InChI Key: | KJSJBKBZMGSIPT-UHFFFAOYSA-N |
Storage: | Sealed in dry, 2-8 °C |
LogP: | 1.91700 |
Publication Number | Title | Priority Date |
CN-112574155-A | Synthetic method of 3- (benzyloxy) -4-oxo-4H-pyran-2-carboxylic acid | 20201125 |
CN-112266390-A | Preparation method of Barosavir intermediate | 20201026 |
CN-112266381-A | Novel synthesis method of Barosavir intermediate | 20201023 |
CN-112159380-A | Process for preparing Barosavir intermediates | 20200923 |
CN-112062763-A | Hydroxypyrimido [1,2-b ] [1,2,5] triazepine derivative, preparation and application | 20200910 |
Complexity: | 402 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 246.05282342 |
Formal Charge: | 0 |
Heavy Atom Count: | 18 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 246.05282342 |
Rotatable Bond Count: | 4 |
Topological Polar Surface Area: | 72.8 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.5 |
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