Beijing Mesochem Technology

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

CAS-1246616-73-8

End Use API

Dolutegravir Sodium

About the Company

Beijing Mesochem Technology Co. Ltd., which is located in the national economic and technological develop...

Beijing Mesochem Technology Co. Ltd., which is located in the national economic and technological development area of Yizhuang, China, manufactures pharmaceutical chemicals, fine chemicals and fundamental chemical materials. It has an efficient research and development team. Beijing Mesochem provides its customers customized development, craft optimization, contract customization and outsourcing services. The company has a well-established industrial base in Weinan, Shanxi Province. The production base features a 20,000 ㎡ plant with a production capacity of over 8,000 MT per year.

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