CAS 36969-89-8

Chemistry, 2 End Use API, 1 Related Intermediates

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Also known as: 36969-89-8, 1-dimethoxyphosphorylheptan-2-one, Dimethyl(2-oxoheptyl)phosphonate, Dimethyl 2-oxoheptylphosphonate, Phosphonic acid, (2-oxoheptyl)-, dimethyl ester, Dimethyl (2-oxoheptyl)-phosphonate

Molecular Formula

C₉H₁₉O₄P

Molecular Weight

222.22 g/mol

InChI Key

LQZCYXCHWNQBKX-UHFFFAOYSA-N

1 2D Structure

CAS 36969-89-8

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

1-dimethoxyphosphorylheptan-2-one

2.1.2 InChI

InChI=1S/C9H19O4P/c1-4-5-6-7-9(10)8-14(11,12-2)13-3/h4-8H2,1-3H3

2.1.3 InChI Key

LQZCYXCHWNQBKX-UHFFFAOYSA-N

2.1.4 Canonical SMILES

CCCCCC(=O)CP(=O)(OC)OC

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. 36969-89-8

2. 1-dimethoxyphosphorylheptan-2-one

3. Dimethyl(2-oxoheptyl)phosphonate

4. Dimethyl 2-oxoheptylphosphonate

5. Phosphonic Acid, (2-oxoheptyl)-, Dimethyl Ester

6. Dimethyl (2-oxoheptyl)-phosphonate

7. Einecs 253-293-4

8. Schembl2304429

9. Dimethyl 2-oxoheptyl Phosphonate

10. Lqzcyxchwnqbkx-uhfffaoysa-

11. Dtxsid30190463

12. 2-oxoheptylphosphonic Acid Dimethyl

13. Dimethyl-(2-oxo-heptyl)phosphonate

14. Amy30099

15. Bcp16204

16. Zinc2539249

17. Mfcd00009514

18. Akos015899104

19. 2-oxoheptylphosphonic Acid Dimethyl Ester

20. Ac-30869

21. As-61398

22. (2-oxoheptyl)phosphonic Acid Dimethyl Ester

23. Cs-0152335

24. D4244

25. Ft-0639352

26. F52652

27. Phosphonic Acid, P-(2-oxoheptyl)-, Dimethyl Ester

28. Dimethyl 2-oxoheptylphosphonate, Technical Grade, 85%

29. (r)-methyl 2-(n-((2'-(1h-tetrazol-5-yl)-[1,1'-biphenyl]-4-yl)methyl)pentanamido)-3-methylbutanoate

2.3 Create Date

2005-03-27

3 Chemical and Physical Properties

Molecular Formula	C₉H₁₉O₄P
Molecular Weight	222.22 g/mol
XLogP3	2.8
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	8
Exact Mass	222.10209608 g/mol
Monoisotopic Mass	222.10209608 g/mol
Topological Polar Surface Area	52.6 Å²
Heavy Atom Count	14
Formal Charge	0
Complexity	207
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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Guangdong Raffles PharmaTech Co Ltd

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CAS Number

36969-89-8

Intermediate Name

(2-oxoheptyl)-phosphonicacidimethyl...

About the Company

Established in August 2011, Raffles PharmaTech is a high-tech enterprise that focus on development, manuf...

Established in August 2011, Raffles PharmaTech is a high-tech enterprise that focus on development, manufacturing and sales of high-value added active pharmaceutical ingredients and intermediates. We are specialized in applying organic catalysts into the process development to lower cost, and to provide cost-effective product and service to customers. With our strong R&D capability and our proprietary organic catalysts, we provide low cost and high quality active pharmaceutical ingredients and intermediates to pharmaceutical companies. We also provide world standard process development, custom synthesis and manufacturing service.

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Shenzhen HwaGen Pharmaceutical

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CAS Number

36969-89-8

Intermediate Name

(2-oxoheptyl)-phosphonicacidimethyl...

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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