CAS 61676-62-8

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BUILDING BLOCK

1 Suppliers, 1 End Use APIs, 20 Related Intermediates

1 Suppliers
1 End Use APIs
20 Related Intermediates

Chemistry

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Also known as: 61676-62-8, Isopropoxyboronic acid pinacol ester, Isopropoxyboronic acid, pinacol ester, 4,4,5,5-tetramethyl-2-(propan-2-yloxy)-1,3,2-dioxaborolane, 4,4,5,5-tetramethyl-2-propan-2-yloxy-1,3,2-dioxaborolane, 2-isopropoxy-4,4,5,5-dimethyl-1,3,2-dioxaborolane

Molecular Formula

C₉H₁₉BO₃

Molecular Weight

186.06 g/mol

InChI Key

MRWWWZLJWNIEEJ-UHFFFAOYSA-N

1 2D Structure

CAS 61676-62-8

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

4,4,5,5-tetramethyl-2-propan-2-yloxy-1,3,2-dioxaborolane

2.1.2 InChI

InChI=1S/C9H19BO3/c1-7(2)11-10-12-8(3,4)9(5,6)13-10/h7H,1-6H3

2.1.3 InChI Key

MRWWWZLJWNIEEJ-UHFFFAOYSA-N

2.1.4 Canonical SMILES

B1(OC(C(O1)(C)C)(C)C)OC(C)C

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. 61676-62-8

2. Isopropoxyboronic Acid Pinacol Ester

3. Isopropoxyboronic Acid, Pinacol Ester

4. 4,4,5,5-tetramethyl-2-(propan-2-yloxy)-1,3,2-dioxaborolane

5. 4,4,5,5-tetramethyl-2-propan-2-yloxy-1,3,2-dioxaborolane

6. 2-isopropoxy-4,4,5,5-dimethyl-1,3,2-dioxaborolane

7. Mfcd00192241

8. 2-isopropoxy-4,4,5,5-tetramethyl-1,3,2-dioxa-borolane

9. 1,3,2-dioxaborolane, 4,4,5,5-tetramethyl-2-(1-methylethoxy)-

10. 2-iso-propoxy-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

11. 2-isopropoxy-4,4,5,5-tetramethyl-[1,3,2]dioxaborolane

12. C9h19bo3

13. Pinbop

14. Schembl9839

15. Dtxsid20407552

16. Act08948

17. Bcp12838

18. Cs-d0245

19. Str09262

20. Akos004116363

21. Ab04651

22. Am20100506

23. Ft-0612702

24. I0658

25. En300-123725

26. Isopropyl Dihydrogen Borate Pinacol Ester

27. A833359

28. J-521562

29. 2-isopropoxy-4,4,5,5-tetramethyl-1,3,2-dioxaborole

30. Isopropoxy-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

31. 2-isopropoxy-4,4,5,5-tetramethyl[1,3,2]-dioxaborolane

32. 2-isopropoxy-4,4,5,5-tetramethyl[1,3,2]dioxaborolane

33. 2-iso-propoxy-4,4,5,5-tetramethyl-[1,3,2]dioxaborolane

34. 2-isopropoxy-4,4,5,5-tetramethyl-[1,3,2]-dioxaborolane

35. 2-isopropyloxy-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

36. 2-isopropoxy-4,4,5,5-tetramethyl-1,3,2-dioxaborolane, 98%

37. 2-isopropoxy-4,4,5,5-tetramethyl-1,3,2-dioxaborolane(isopropoxyboronic Acid Pinacol Ester

38. 2-methoxy-4,4,5,5-tetramethyl-1,3,2-dioxaborolane(methoxyboronic Acid Pinacol Ester)

2.3 Create Date

2005-09-18

3 Chemical and Physical Properties

Molecular Formula	C₉H₁₉BO₃
Molecular Weight	186.06 g/mol
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	2
Exact Mass	g/mol
Monoisotopic Mass	g/mol
Topological Polar Surface Area	27.7
Heavy Atom Count	13
Formal Charge	0
Complexity	173
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