CAS 40665-68-7

Chemistry, 2 End Use API, 6 Related Intermediates

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Also known as: 40665-68-7, Dimethyl (2-oxo-3-phenoxypropyl)phosphonate, Dimethyl(3-phenoxy-2-oxopropyl)phosphonate, 1-dimethoxyphosphoryl-3-phenoxypropan-2-one, Dimethyl (3-phenoxyacetonyl)phosphonate, Phosphonic acid, (2-oxo-3-phenoxypropyl)-, dimethyl ester

Molecular Formula

C₁₁H₁₅O₅P

Molecular Weight

258.21 g/mol

InChI Key

NQTSTBMCCAVWOS-UHFFFAOYSA-N

1 2D Structure

CAS 40665-68-7

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

1-dimethoxyphosphoryl-3-phenoxypropan-2-one

2.1.2 InChI

InChI=1S/C11H15O5P/c1-14-17(13,15-2)9-10(12)8-16-11-6-4-3-5-7-11/h3-7H,8-9H2,1-2H3

2.1.3 InChI Key

NQTSTBMCCAVWOS-UHFFFAOYSA-N

2.1.4 Canonical SMILES

COP(=O)(CC(=O)COC1=CC=CC=C1)OC

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. 40665-68-7

2. Dimethyl (2-oxo-3-phenoxypropyl)phosphonate

3. Dimethyl(3-phenoxy-2-oxopropyl)phosphonate

4. 1-dimethoxyphosphoryl-3-phenoxypropan-2-one

5. Dimethyl (3-phenoxyacetonyl)phosphonate

6. Phosphonic Acid, (2-oxo-3-phenoxypropyl)-, Dimethyl Ester

7. Dimethyl (3-phenoxy-2-oxoproyl)phosphonate

8. Saed

9. Schembl244446

10. (2-oxo-3-phenoxypropyl)phosphonic Acid Dimethyl Ester

11. (2-oxo-3-phenoxy-propyl)-phosphonic Acid Dimethyl Ester

12. Dtxsid30342248

13. Act09694

14. Amy22160

15. Bcp15047

16. Zinc2539327

17. Mfcd00010225

18. Dimethyl(3-phenoxyacetonyl)phosphonate

19. Akos015891031

20. Ac-24771

21. As-65432

22. Cs-0317869

23. D4408

24. Dimethyl 2-oxo-3-phenoxypropylphosphonate #

25. Ft-0735838

26. Dimethyl-(3-phenoxy-2-oxopropyl)-phosphonate

27. (3-phenoxyacetonyl)phosphonic Acid Dimethyl Ester

28. 665d687

29. A873256

30. Dimethyl (3-phenoxy-2-oxopropyl)phosphonate

2.3 Create Date

2005-03-27

3 Chemical and Physical Properties

Molecular Formula	C₁₁H₁₅O₅P
Molecular Weight	258.21 g/mol
XLogP3	0.9
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	7
Exact Mass	258.06571057 g/mol
Monoisotopic Mass	258.06571057 g/mol
Topological Polar Surface Area	61.8 Å²
Heavy Atom Count	17
Formal Charge	0
Complexity	278
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

40665-68-7

Intermediate Name

Dimethyl(2-oxo-3-phenoxypropyl) pho...

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

40665-68-7

Intermediate Name

Dimethyl(2-oxo-3-phenoxypropyl)phos...

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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