(4-エトキシカルボニルメチルフェニル)ボロン酸ピナコールエステル

Ethyl (4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)acetate

HCID 46737998

ノート反応

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基本情報

CAS: 859169-20-3
標準SMILES: CCOC(=O)Cc1ccc(B2OC(C)(C)C(C)(C)O2)cc1
InChIKey: RPRBNRDIESZHFL-UHFFFAOYSA-N
分子式: C16H23BO4
平均分子量: 290.2 g/mol
単同位体質量: 290.16893962

概要

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名称と識別子

優先名称: Ethyl (4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)acetate
IUPAC: ethyl 2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]acetate
現地名: (4-エトキシカルボニルメチルフェニル)ボロン酸ピナコールエステル
英語名: 4-(ethoxycarbonylmethyl)phenylboronic acid, pinaco
分子式: C16H23BO4
分子量: 290.16

名称と別名

DTXSID10674155Ethyl (4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)acetateethyl [4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]acetateRefChem:1084678DTXCID20624904859169-20-3ETHYL 2-(4-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)PHENYL)ACETATE(4-Ethoxycarbonylmethylphenyl)boronic acid pinacol esterMFCD08704684ethyl 2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]acetate4-(ETHOXYCARBONYLMETHYL)PHENYLBORONIC ACID, PINACOL ESTER4-(ethoxycarbonylmethyl)phenylboronic acid, pinaco

名称をさらに表示

(4-エトキシカルボニルメチルフェニル)ボロン酸ピナコールエステル2-[4-(4,4,5,5-テトラメチル-1,3,2-ジオキサボロラン-2-イル)フェニル]酢酸エチルEthyl 2-(4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-Ethyl 2-(4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)(4-(2-ETHOXY-2-OXOETHYL)PHENYL)BORONIC ACID PINACOL ESTER4-(4-(Ethoxycarbonyl)phenyl)benzeneboronic acid neopentyl glycol ester2-[(4-Ethoxycarbonylmethyl)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolaneEthyl 2-(4-(4,4,5,5-Tetramethyl-1,3,2-Dioxaborolan-2-yl)Phenyl)Acetate,>98%4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)benzeneacetic acid ethyl ester2-[4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]acetic Acid Ethyl Ester

4-Ethoxycarbonylmethylphenylboronic acid, pinacol esterCS-M17274-(2-Ethoxy-2-oxoethyl)phenylboronic Acid Pinacol Esterethyl 2-[4-(tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]acetate4-(Ethoxycarbonylmethyl)phenylboronic acid pinacol ester, AldrichCPR(4-Ethoxycarbonylmethylphenyl)boronic acid, pinacol ester4-(ethoxycarbonylmethyl)phenylboronic acid pinacol esterSCHEMBL10228

データベース識別子

CAS: 859169-20-3
PubChem CID: 46737998
DTXSID: DTXSID10674155

物性

構造計算による物性

極性表面積: 44.8 Å²
水素結合供与体数: 0
水素結合受容体数: 4
回転可能結合数: 5
重原子数: 21
形式電荷: 0
複雑度: 356

物理化学的性質

沸点: 377.7 · 377.7±25.0 °C(Predicted)
比重(密度): 1.06 · 1.06±0.1 g/cm3(Predicted)
貯蔵温度: 2 · under inert gas (nitrogen or Argon) at 2-8°C
外見: clear liquid
色: Colorless to Light yellow to Light orange
InChI: 1S/C16H23BO4/c1-6-19-14(18)11-12-7-9-13(10-8-12)17-20-15(2,3)16(4,5)21-17/h7-10H,6,11H2,1-5H3
InChIKey: RPRBNRDIESZHFL-UHFFFAOYSA-N
SMILES: O=C(CC1=CC=C(B2OC(C)(C)C(C)(C)O2)C=C1)OCC