Actis Generics Pvt Ltd

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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CAS Number

103041-38-9

End Use API

Dabigatran Etexilate Mesylate

About the Company

Actis Generics Pvt Ltd is a fast emerging APIs (Active Pharmaceutical Ingredients) & Intermediates manufa...

Actis Generics Pvt Ltd is a fast emerging APIs (Active Pharmaceutical Ingredients) & Intermediates manufacturer & supplier in India set up by a group of young professionals with the specific objective of providing the critical India advantage to both the innovator and generic pharmaceutical players in both domestic and international markets including the regulated markets. Actis Pharma’s mission is to develop and produce complex, small & big volume, technology driven products required by the generic industry.

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