2-苄基-4,4,5,5-四甲基-1,3,2-二杂氧戊硼烷 (HCID 3864964)

名称与标识

首选名称: 2-Benzyl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
IUPAC: 2-benzyl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
中文名: 2-苄基-4,4,5,5-四甲基-1,3,2-二杂氧戊硼烷
英文名: Benzylboronic acid pinacol ester
分子式: C13H19BO2
分子量: 218.1

名称与别名

87100-28-52-benzyl-4,4,5,5-tetramethyl-1,3,2-dioxaborolaneDTXSID801007338RefChem:465651DTXCID101434194679-569-8Benzylboronic acid pinacol esterMFCD05663841121074-61-14,4,5,5-Tetramethyl-2-(phenylmethyl)-1,3,2-dioxaborolane1,3,2-Dioxaborolane, 4,4,5,5-tetramethyl-2-(phenylmethyl)-benzylboronic pinacol ester

展开更多名称

苄基频哪酯苄基频哪醇酯苄基硼酸频呐醇酯苄基硼酸频呢醇酯苄基硼酸频哪醇酯苄基硼酸频那醇酯苄基硼酸匹那醇酯苯硼酸四甲基乙二醇酯2-苄基硼酸频哪醇酯PERFEMIKER]苄基硼酸频哪醇酯,97%pinacol benzylboronatebenzylboronic acidolesterBenzylboronic acid pinacol estPinarylbenzylboronic acid esterBenzylboronic acid pinacol ester 96%2-BENZYL-4,4,5,5-TETRAMETHYL-(1,3,2)DIOXABOROLANE2-Benzyl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane >4,4,5,5-Tetramethyl-2-(phenylmethyl)-1,3,2-dioxaborolane3-hydroxy-2,3-dimethylbutan-2-yl hydrogen benzylboronate

SCHEMBL142096orb2940486benzyl boronic acid pinacol esterYCNQPAVKQPLZRS-UHFFFAOYSA-NTYD-00092AKOS005259533AB21925Benzylboronic acid pinacol ester, 96%

数据库标识

CAS: 87100-28-5
PubChem CID: 3864964
DTXSID: DTXSID801007338
EC Number: 679-569-8
Nikkaji: J1.147.021A

性质

结构计算性质

极性表面积: 18.5 Å²
氢键供体: 0
氢键受体: 2
可旋转键: 2
重原子: 16
形式电荷: 0
复杂度: 228

物理化学性质

沸点: 65 °C0.15 · 65 °C0.15 mm Hg
密度: 0.98 g/mL · 0.980 g/mL at 25 °C
折射率: 20 · n20/D 1.490
闪点: 230 °F · >230 °F
储存条件: -20 °C · Inert atmosphere,Store in freezer, under -20°C
形态: clear liquid
颜色: Colorless to Light yellow to Light orange
水溶解性: Insoluble in water.
InChI: InChI=1S/C13H19BO2/c1-12(2)13(3,4)16-14(15-12)10-11-8-6-5-7-9-11/h5-9H,10H2,1-4H3
InChIKey: YCNQPAVKQPLZRS-UHFFFAOYSA-N
SMILES: O1C(C)(C)C(C)(C)OB1CC1=CC=CC=C1
CAS 数据库: 87100 · 87100-28-5(CAS DataBase Reference)

安全与法规

GHS分类

GHS Classification · 6 条

This chemical does not meet GHS hazard criteria for 33.3% (1 of 3) of reports.

Warning

H315 (66.7%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (66.7%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (33.3%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 3 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Reported as not meeting GHS hazard criteria per 1 of 3 reports by companies.；There are 2 notifications provided by 2 of 3 reports by companies with hazard statement code(s).；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.

危害信息

Hazard Classes and CategoriesSkin Irrit. 2 (66.7%)；Eye Irrit. 2A (66.7%)；STOT SE 3 (33.3%)

安全数据

wgk: 3
hazard_note: Irritant
存储类别: 10 - Combustible liquids
安全说明: 23-24/25
海关编码: 2931900090
危险品标志: Xi

化学与工业

应用领域

简介2-苄基-4,4,5,5-四甲基-1,3,2-二杂氧戊硼烷是一种硼酯化合物。硼酯化合物是很多天然产物、药物分子的合成中间体，同时也是Suzuki -Miyaura偶联反应的基本反应物。

制备方法 · 1 条

制备将化合物苄溴(2g,11.7mmol)溶于无水DMF(40mL)中，加入联硼酸频哪醇酯(4.45g,17.5mmol)，溴化亚铜(340mg,2.3mmol)以及叔丁醇钠(1.69g,17.5mmol)后，用氩气交换反应瓶中的空气进行保护，于80℃反应10小时。将反应冷却至室温，过滤除去不溶物，以少量乙酸乙酯洗涤滤饼，合并滤液，加入适量水后以乙酸乙酯萃取。收集有机层以无水硫酸钠干燥，减压浓缩后以硅胶柱层析纯化(洗脱剂为PE/EtOAc＝40:1)得到产品无色油状物1.78克，收率70％。

上下游产品信息

上游原料

溴甲基苯甲酸频那酯苯硼酸氯化苄三丁基苯基锡频哪醇三甲基硅烷化重氮甲烷乙酸苄酯苯甲醇溴化苄

下游产品

4-苄氧基溴苯 4-苄氧基-1-硝基苯 4-(4,4,5,5-四甲基1,3,,2-二氧杂硼烷-二基)甲苯 1,2-二苯乙烷

试剂价格

HY-W000993 · 10 g: 2-苄基-4,4,5,5-四甲基-1,3,2-二杂氧戊硼烷Benzylboronic acid pinacol ester — 178元
HY-W000993 · 10 mM * 1 mL in DMSO: 2-苄基-4,4,5,5-四甲基-1,3,2-二杂氧戊硼烷Benzylboronic acid pinacol ester — 195元

供应商50 家

梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]

衢州润东化工有限公司0570-8789886 18892685668 · [email protected]

上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]

陕西缔都新材料有限公司81124267 17392282731 · [email protected]

Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]

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2-苄基-4,4,5,5-四甲基-1,3,2-二杂氧戊硼烷

基本信息