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CAS 1029716-44-6

Chemistry, 3 End Use API, 25 Related Intermediates

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Also known as: 1029716-44-6, 1-(1-ethoxyethyl)-1h-pyrazole-4-boronic acid pinacol ester, 1-(1-ethoxyethyl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole, Mfcd11857753, 1-(1-ethoxyethyl)-4-(tetramethyl-1,3,2-dioxaborolan-2-yl)-1h-pyrazole, (1-(1-ethoxyethyl)-1h-pyrazol-4-yl)boronic acid pinacol ester

Molecular Formula

C₁₃H₂₃BN₂O₃

Molecular Weight

266.15 g/mol

InChI Key

IZKVGEWCELXYRI-UHFFFAOYSA-N

1 2D Structure

CAS 1029716-44-6

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

1-(1-ethoxyethyl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole

2.1.2 InChI

InChI=1S/C13H23BN2O3/c1-7-17-10(2)16-9-11(8-15-16)14-18-12(3,4)13(5,6)19-14/h8-10H,7H2,1-6H3

2.1.3 InChI Key

IZKVGEWCELXYRI-UHFFFAOYSA-N

2.1.4 Canonical SMILES

B1(OC(C(O1)(C)C)(C)C)C2=CN(N=C2)C(C)OCC

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. 1029716-44-6

2. 1-(1-ethoxyethyl)-1h-pyrazole-4-boronic Acid Pinacol Ester

3. 1-(1-ethoxyethyl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole

4. Mfcd11857753

5. 1-(1-ethoxyethyl)-4-(tetramethyl-1,3,2-dioxaborolan-2-yl)-1h-pyrazole

6. (1-(1-ethoxyethyl)-1h-pyrazol-4-yl)boronic Acid Pinacol Ester

7. Schembl872483

8. Dtxsid30673882

9. Bcp22043

10. Cs-m1565

11. Akos015838747

12. Sb12197

13. Ac-30031

14. Am802855

15. As-19476

16. Da-16655

17. Sy045931

18. Ft-0696244

19. A847786

20. 1-(1-ethoxyethyl)pyrazole-4-boronic Acid Pinacol Ester

21. 1h-pyrazole-1-(1-ethoxyethyl)-4-boronic Acid Pinacol Ester

22. 1-(1-ethoxyethyl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)1h-pyrazole

23. 1h-pyrazole, 1-(1-ethoxyethyl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-

24. 2-[1-(1-ethoxyethyl)-1h-pyrazole-4-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

25. 1-(1-ethoxyethyl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1h-pyrazole, Aldrichcpr

26. 1-(1-ethoxyethyl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1h-pyrazole;1-(1-ethoxyethyl)pyrazole-4-boronic Acid Pinacol Ester

2.3 Create Date

2010-07-26

3 Chemical and Physical Properties

Molecular Formula	C₁₃H₂₃BN₂O₃
Molecular Weight	266.15 g/mol
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	4
Exact Mass	266.1801728 g/mol
Monoisotopic Mass	266.1801728 g/mol
Topological Polar Surface Area	45.5 Å²
Heavy Atom Count	19
Formal Charge	0
Complexity	309
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	1

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CAS Number

CAS-3680-69-1

End Use API

Baricitinib

About the Company

Jinan Lead Pharmaceutical Technology Co., LTD., located in Jinan, Shandong Province, is mainly engaged in...

Jinan Lead Pharmaceutical Technology Co., LTD., located in Jinan, Shandong Province, is mainly engaged in R&D, production and sales of pharmaceutical raw materials and intermediates. The research and development center is located in Jinan high-tech zone, the production base is located in Ulanqab, Inner Mongolia. The plant has 6 production workshops, covering an area of 1,000,000㎡. At present, we have passed the supplier audit from many domestic pharmaceutical enterprises and world-class pharmaceutical enterprises. Main business: pharmaceutical API and intermediate research and development, production and sales.

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