methyl trans-2-[4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]cyclohexyl]acetate | CAS No. 701232-69-1

methyl trans-2-[4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]cyclohexyl]acetate

Basic Information

CAS Number

701232-69-1

Molecular Formula

C21H31BO4

Molecular Weight

358.29 g/mol

AD

Basic Physical Properties

O=C(OC)C[C@H]1CC[C@H](C2=CC=C(B3OC(C)(C)C(C)(C)O3)C=C2)CC1

InChI

InChI=1S/C21H31BO4/c1-20(2)21(3,4)26-22(25-20)18-12-10-17(11-13-18)16-8-6-15(7-9-16)14-19(23)24-5/h10-13,15-16H,6-9,14H2,1-5H3/t15-,16-

InChIKey

LWEYCLIGHQDHIM-WKILWMFISA-N

LogP

3.822700000000003

Topological Polar Surface Area

44.760000000000005 Ų

Hydrogen Bond Donor/Acceptor

0 / 4

Complexity

472

Synonyms & References

English

  • [4-[4-(4,4,5,5-Tetramethyl-[1,3,2]dioxaborolan-2-yl)phenyl]cyclohexyl]acetic acid methyl ester
  • Methyl 2-(trans-4-(4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)cyclohexyl)acetate
  • 2-[(1r,4r)-4-[4-(tetraMethyl-1,3,2-dioxaborolan-2-yl)phenyl]cyclohexyl]acetate
  • methyl 2-((1r,4r)-4-(4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)cyclohexyl)acetate
  • Cyclohexaneacetic acid, 4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-, methyl ester, trans-
  • {4-[4-(4,4,5,5-tetramet
  • methyl trans-2-[4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]cyclohexyl]acetate

MDL Number

MFCD18633077

FAQ

What are the physical and chemical properties of methyl trans-2-[4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]cyclohexyl]acetate (CAS: 701232-69-1)?

Methyl trans-2-[4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]cyclohexyl]acetate is a white crystalline solid with a molecular weight of approximately 548.54 g/mol. It has a low solubility in water but is soluble in organic solvents such as ethanol and acetone. Chemically, it is less reactive than similar compounds and can undergo ester exchange reactions under certain conditions.

How is methyl trans-2-[4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]cyclohexyl]acetate (CAS: 701232-69-1) typically synthesized?

Methyl trans-2-[4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]cyclohexyl]acetate can be synthesized by a three-step process involving the synthesis of the corresponding phenyl derivative, its coupling with a boronic acid ester, and subsequent acetylation. The reaction typically requires a palladium catalyst and is conducted under mild conditions to ensure high selectivity and yield.

What industries use methyl trans-2-[4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]cyclohexyl]acetate (CAS: 701232-69-1)?

Methyl trans-2-[4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]cyclohexyl]acetate is primarily used in pharmaceutical and polymer industries due to its unique chemical structure. It can be used as a precursor in the synthesis of new drugs and as a monomer for the production of advanced polymers.

What precautions should be taken when handling methyl trans-2-[4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]cyclohexyl]acetate (CAS: 701232-69-1)?

When handling methyl trans-2-[4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]cyclohexyl]acetate (CAS: 701232-69-1), it is essential to wear appropriate personal protective equipment (PPE) such as gloves, goggles, and lab coat. Work should be conducted in a well-ventilated fume hood to minimize exposure. Spills should be cleaned up immediately using appropriate absorbents and disposed of according to safety data sheet (SDS) guidelines.

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