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

HCID 3464653

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基本情報

CAS: 269410-28-8
標準SMILES: CCOC(=O)COc1ccc(B2OC(C)(C)C(C)(C)O2)cc1
InChIKey: IWVRBFCAALMWBP-UHFFFAOYSA-N
分子式: C16H23BO5
平均分子量: 306.2 g/mol
単同位体質量: 306.16385424

名称と識別子

優先名称: Ethyl 2-(4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenoxy)acetate
IUPAC: ethyl 2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenoxy]acetate
英語名: 4-(ETHOXYCARBONYL)METHOXYPHENYLBORONIC ACID
分子式: C16H23BO5
分子量: 306.16

名称と別名

269410-28-8Ethyl 2-(4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenoxy)acetate4-(2-Ethoxy-2-oxoethoxy)phenylboronic acid, pinacol esterEthyl 2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenoxy]acetateMFCD066578864-(Ethoxycarbonyl)methoxyphenylboronic acidAKOS015960121AB257264-(2-Ethoxy-2-oxoethoxy)phenylboronic acid pinacol ester4-(ETHOXYCARBONYL)METHOXYPHENYLBORONIC ACID, PINACOL ESTEREthyl [4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenoxy]acetateethyl (4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenoxy)acetate

名称をさらに表示

ETHYLPHENOXYACETATE-4-BORONC ACID PINACOL ESTERETHYLPHENOXYACETATE-4-BORONIC ACID PINACOL ESTER4-(2-Ethoxy-2-oxoethoxy)phenylboronic acid,pinacol ester[4-(4,4,5,5-tetramethyl-[1,3,2]dioxaborolan-2-yl)-phenoxy]-acetic acid ethyl esterAcetic acid, 2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenoxy]-, ethyl ester

SCHEMBL473933DTXSID50392725BS-25355SY333941CS-0174555F87672F2131824-(2-ethoxy-2-oxoethoxy)phenylboronic acid, pinacol ester, AldrichCPR

データベース識別子

CAS: 269410-28-8
PubChem CID: 3464653
DTXSID: DTXSID50392725

物性

構造計算による物性

極性表面積: 54 Å²
水素結合供与体数: 0
水素結合受容体数: 5
回転可能結合数: 6
重原子数: 22
形式電荷: 0
複雑度: 372

物理化学的性質

貯蔵温度: 2 · 2-8°C
外見: solid
InChI: 1S/C16H23BO5/c1-6-19-14(18)11-20-13-9-7-12(8-10-13)17-21-15(2,3)16(4,5)22-17/h7-10H,6,11H2,1-5H3
InChIKey: IWVRBFCAALMWBP-UHFFFAOYSA-N
SMILES: B2(OC(C(O2)(C)C)(C)C)c1ccc(cc1)OCC(=O)OCC