Ethyl 4-(4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenoxy)butanoate | CAS No. 859169-90-7

Ethyl 4-(4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenoxy)butanoate

Basic Information

CAS Number

859169-90-7

Molecular Formula

C18H27BO5

Molecular Weight

334.22 g/mol

AD

Basic Physical Properties

B1(OC(C(O1)(C)C)(C)C)C2=CC=C(C=C2)OCCCC(=O)OCC

InChI

InChI=1S/C18H27BO5/c1-6-21-16(20)8-7-13-22-15-11-9-14(10-12-15)19-23-17(2,3)18(4,5)24-19/h9-12H,6-8,13H2,1-5H3

InChIKey

ULQLSUMGMISQGT-UHFFFAOYSA-N

LogP

2.7079000000000004

Topological Polar Surface Area

53.99000000000001 Ų

Hydrogen Bond Donor/Acceptor

0 / 5

Complexity

400

Synonyms & References

English

  • ethyl 4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenoxy]butanoate
  • 4-[4-(4,4,5,5-TETRAMETHYL-[1,3,2]DIOXABOROLAN-2-YL)-PHENOXY]-BUTYRIC ACID ETHYL ESTER
  • ethyl 4-(4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenoxy)butanoate
  • 4-(4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenoxy)butyric acid ethyl ester
  • starbld0000887
  • DTXSID50590082
  • ULQLSUMGMISQGT-UHFFFAOYSA-N
  • 4-[4-(4,4,5,5-tetramethyl-[1,3,2]dioxaborolan-2-yl)phenoxy]butyric acid ethyl ester
  • 4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenoxy]butyric acid ethyl ester
  • CS-0177775
  • 859169-90-7
  • F77077
  • SCHEMBL1621389
  • Butanoic acid,4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenoxy]-, ethyl ester

MDL Number

MFCD08706025

FAQ

What are the physical and chemical properties of Ethyl 4-(4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenoxy)butanoate (CAS: 859169-90-7)?

Ethyl 4-(4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenoxy)butanoate (CAS: 859169-90-7) is a white to off-white crystalline solid with a molecular weight of approximately 408.43 g/mol. It is sparingly soluble in water but soluble in organic solvents such as ethanol and acetone. This compound is known for its reactivity in boron-containing reactions and is often used in synthetic routes as a building block in organic synthesis.

How is Ethyl 4-(4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenoxy)butanoate (CAS: 859169-90-7) typically synthesized?

Ethyl 4-(4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenoxy)butanoate (CAS: 859169-90-7) can be synthesized via a multistep process involving the protection of the phenol group, formation of the borate ester, and subsequent deprotection. This synthesis typically requires the use of catalysts such as palladium(II) acetate and triphenylphosphine, and the process is known for its high selectivity and yield.

What industries use Ethyl 4-(4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenoxy)butanoate (CAS: 859169-90-7)?

Ethyl 4-(4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenoxy)butanoate (CAS: 859169-90-7) is predominantly used in the pharmaceutical and polymer industries. It serves as a precursor in the synthesis of various medicinal compounds and is also employed in the development of advanced polymers and materials.

What precautions should be taken when handling Ethyl 4-(4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenoxy)butanoate (CAS: 859169-90-7)?

When handling Ethyl 4-(4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenoxy)butanoate (CAS: 859169-90-7), it is important to wear appropriate personal protective equipment (PPE) such as gloves, safety goggles, and a lab coat. Work should be conducted in a well-ventilated area or fume hood. Spills should be cleaned up with care, and the material safety data sheet (MSDS) should be consulted for specific disposal and emergency procedures.

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