Shenzhen Hwagen Pharmaceutical

Dimethyl 3-(Benzyloxy)-4-Oxo-4H-Pyran-2,5-

Chemistry, 5 End Use API, 130 Related Intermediates

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Dimethyl 3-(Benzyloxy)-4-Oxo-4H-Pyran-2,5-

Also known as: 1246616-66-9, Dimethyl 4-oxo-3-phenylmethoxypyran-2,5-dicarboxylate, 4-oxo-3-(phenylmethoxy)-4h-pyran-2,5-dicarboxylic acid 2,5-dimethyl ester, 4h-pyran-2,5-dicarboxylic acid, 4-oxo-3-(phenylmethoxy)-, 2,5-dimethyl ester, Schembl2126483, Amy30047

Molecular Formula

C₁₆H₁₄O₇

Molecular Weight

318.28 g/mol

InChI Key

REVROVKRCYLCAT-UHFFFAOYSA-N

1 2D Structure

Dimethyl 3-(Benzyloxy)-4-Oxo-4H-Pyran-2,5-

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

dimethyl 4-oxo-3-phenylmethoxypyran-2,5-dicarboxylate

2.1.2 InChI

InChI=1S/C16H14O7/c1-20-15(18)11-9-23-14(16(19)21-2)13(12(11)17)22-8-10-6-4-3-5-7-10/h3-7,9H,8H2,1-2H3

2.1.3 InChI Key

REVROVKRCYLCAT-UHFFFAOYSA-N

2.1.4 Canonical SMILES

COC(=O)C1=COC(=C(C1=O)OCC2=CC=CC=C2)C(=O)OC

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. 1246616-66-9

2. Dimethyl 4-oxo-3-phenylmethoxypyran-2,5-dicarboxylate

3. 4-oxo-3-(phenylmethoxy)-4h-pyran-2,5-dicarboxylic Acid 2,5-dimethyl Ester

4. 4h-pyran-2,5-dicarboxylic Acid, 4-oxo-3-(phenylmethoxy)-, 2,5-dimethyl Ester

5. Schembl2126483

6. Amy30047

7. Mfcd28128927

8. Akos027323535

9. Zinc118098611

10. Ac-30858

11. Da-34813

12. Ds-11347

13. Cs-0150761

14. Ft-0758438

15. F11912

16. Dimethyl3-(benzyloxy)-4-oxo-4h-pyran-2,5-dicarboxylate

17. 2,5-dimethyl 3-(benzyloxy)-4-oxo-4h-pyran-2,5-dicarboxylate

2.3 Create Date

2015-02-12

3 Chemical and Physical Properties

Molecular Formula	C₁₆H₁₄O₇
Molecular Weight	318.28 g/mol
XLogP3	1.9
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	7
Exact Mass	318.07395278 g/mol
Monoisotopic Mass	318.07395278 g/mol
Topological Polar Surface Area	88.1 Å²
Heavy Atom Count	23
Formal Charge	0
Complexity	553
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	1

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Dimethyl 3-(benzyloxy)-4-oxo-4H-pyran-2,5-dicarboxylate

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CAS Number

1246616-66-9

End Use API

Dolutegravir Sodium

About the Company

Shenzhen HwaGen Pharmaceutical Co., Ltd. (HwaGen Pharma) was founded in December of 2015 under the leader...

Shenzhen HwaGen Pharmaceutical Co., Ltd. (HwaGen Pharma) was founded in December of 2015 under the leadership of a “National 1000 Talents Program” expert. By leveraging its core competency in chiral synthesis, enzymatic catalysis and continuous flow micro reactor, HwaGen Pharmaceutical is dedicated to development and manufacturing of specialty and niche intermediates and APIs covering various therapeutic areas including oncology, antiviral and respiratory, delivering high value-added and affordable products for global pharmaceutical industry. Equipments for Analysis & Test include Tabletop NMR, LC-MS, GC, HPLC etc.

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