CAS 380894-77-9

Chemistry, 1 End Use API, 1 Related Intermediates

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Also known as: 380894-77-9, 2-(diethoxyphosphorylmethyl)-5-(3-fluorophenyl)pyridine, Phosphonic acid, [[5-(3-fluorophenyl)-2-pyridinyl]methyl]-, diethyl ester, Diethyl {[5-(3-fluorophenyl)pyridin-2-yl]methyl}phosphonate, Schembl751371, Amy399

Molecular Formula

C₁₆H₁₉FNO₃P

Molecular Weight

323.30 g/mol

InChI Key

CPOPYWOLIYKTLP-UHFFFAOYSA-N

1 2D Structure

CAS 380894-77-9

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

2-(diethoxyphosphorylmethyl)-5-(3-fluorophenyl)pyridine

2.1.2 InChI

InChI=1S/C16H19FNO3P/c1-3-20-22(19,21-4-2)12-16-9-8-14(11-18-16)13-6-5-7-15(17)10-13/h5-11H,3-4,12H2,1-2H3

2.1.3 InChI Key

CPOPYWOLIYKTLP-UHFFFAOYSA-N

2.1.4 Canonical SMILES

CCOP(=O)(CC1=NC=C(C=C1)C2=CC(=CC=C2)F)OCC

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. 380894-77-9

2. 2-(diethoxyphosphorylmethyl)-5-(3-fluorophenyl)pyridine

3. Phosphonic Acid, [[5-(3-fluorophenyl)-2-pyridinyl]methyl]-, Diethyl Ester

4. Diethyl {[5-(3-fluorophenyl)pyridin-2-yl]methyl}phosphonate

5. Schembl751371

6. Amy399

7. Cb72711592

8. Mfcd22376876

9. Akos025286290

10. Zinc114515529

11. Ac-29302

12. As-73032

13. Db-119036

14. Cs-0151418

15. F18179

16. A918818

17. Diethyl [5-(3-fluorophenyl)pyridin-2-yl]methylphosphonate

18. Diethyl((5-(3-fluorophenyl)pyridin-2-yl)methyl)phosphonate

19. [[5-(3-fluorophenyl)-2-pyridinyl]methyl]phosphonic Acid Diethyl Ester

2.3 Create Date

2007-10-09

3 Chemical and Physical Properties

Molecular Formula	C₁₆H₁₉FNO₃P
Molecular Weight	323.30 g/mol
XLogP3	2.4
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	7
Exact Mass	323.10865863 g/mol
Monoisotopic Mass	323.10865863 g/mol
Topological Polar Surface Area	48.4 Å²
Heavy Atom Count	22
Formal Charge	0
Complexity	372
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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Ethyl ((1R,3aR,4aR,6R,8aR,9S,9aS)-9-formyl-1-methyl-3-o...

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CAS Number

CAS-900180-06-5

End Use API

Vorapaxar Sulfate

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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