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Home > Encyclopedia > (3-ETHOXYCARBONYLMETHYLPHENYL)BORONIC ACID, PINACOL ESTER

(3-ETHOXYCARBONYLMETHYLPHENYL)BORONIC ACID, PINACOL ESTER

(3-ETHOXYCARBONYLMETHYLPHENYL)BORONIC ACID, PINACOL ESTER structure

(3-ETHOXYCARBONYLMETHYLPHENYL)BORONIC ACID, PINACOL ESTER 

structure
  • CAS No:

    1198615-70-1

  • Formula:

    C16H25BO5

  • Chemical Name:

    (3-ETHOXYCARBONYLMETHYLPHENYL)BORONIC ACID, PINACOL ESTER

  • Synonyms:

    Ethyl 2-(3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)acetate;(3-ethoxycarbonylmethyl)phenylboronic acid, pinacol ester;(3-(2-ETHOXY-2-OXOETHYL)PHENYL)BORONIC ACID PINACOL ESTER;ethyl [3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]acetate;ethyl 2-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]acetate;Benzeneacetic acid, 3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-, ethyl ester;SCHEMBL1238039;CTK8B6415;DTXSID80682242;ANW-53421

(3-ETHOXYCARBONYLMETHYLPHENYL)BORONIC ACID, PINACOL ESTER Basic Attributes

308.1777

290.169

DTXSID80682242

2934999090

Characteristics

44.8

2.09140

1.06±0.1 g/cm3(Predicted)

386.4±25.0 °C(Predicted)

Room temperature.

(3-ETHOXYCARBONYLMETHYLPHENYL)BORONIC ACID, PINACOL ESTER Use and Manufacturing

A solution of ethyl 2-(3-bromophenyl)acetate (1 g, 4.1 mmol) in dioxane (20 mL) was degassed with argon, to this solution (bis-pinacolato)diboron (1.25 g, 4.9 mmol), KOAc (1.20 g, 12.3 mmol) and Pd(dppf)To 2-(3-(4, 4, 5, 5-tetramethyl- 1 , 3, 2-dioxaborolan-2-yl)phenyl)acetic acid (0.5Og, 1.91 mmol) in 20 mis of dry DMF was added cesium carbonate (1.24 g, 3.82 mmole) and iodoethane (0.20 mis, 2.48 mmol). This mixture was stirred at room temperature for 16 hours, then diluted with brine, extracted twice with EtOAc, extracts washed with brine (2X), dried over sodium sulfate and concentrated under reduced pressure to give 360 mgs (65percent) of ethyl 2-(3-(4, 4, 5, 5- tetramethyl-l, 3, 2-dioxaborolan-2-yl)phenyl)acetate as a clear oil.

Computed Properties

Molecular Weight:290.2
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:5
Exact Mass:290.1689394
Monoisotopic Mass:290.1689394
Topological Polar Surface Area:44.8
Heavy Atom Count:21
Complexity:365
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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