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苄基频哪酯 | 87100-28-5

苄基频哪酯
Benzylboronic acid pinacol ester
87100-28-5
C13H19BO2
218.099764108658
如需查看该化合物的详细结构式,mol文件,smile,InChi 请点击:苄基频哪酯结构式
3864964
苄基频哪酯价格
名称和标识符
MDL MFCD05663841
InChIKey YCNQPAVKQPLZRS-UHFFFAOYSA-N
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
SMILES O1C(C)(C)C(C)(C)OB1CC1C=CC=CC=1
别名信息
- 中文别名 -
  • 苄基频哪酯
  • 苄基硼酸频哪醇酯
  • 2-苄基-4,4,5,5-四甲基-1,3,2-二氧硼戊烷
  • 2-Benzyl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane 2-苄基-4,4,5,5-四甲基-1,3,2-二氧硼戊烷
  • 2-苄基-4,4,5,5-四甲基-1,3,2-二噁硼烷
  • 2-苄基-4,4,5,5-四甲基-1,3,2-二氧杂环戊硼烷
  • 2-苄基-4,4,5,5-四甲基-1,3,2-二氧杂硼烷
  • 2-苄基-4,4,5,5-四甲基-1,3,2-二杂氧戊硼烷
  • 2-苄基硼酸频哪醇酯
  • 苄基硼酸频呐醇酯
  • 4-溴-2-(三氟甲氧基)苯胺
  • 2-苄基-4,4,5,5-四甲基-(1,3,2)二氧杂戊硼烷
- 英文别名 -
  • 2-Benzyl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
  • Benzylboronic acid pinacol ester
  • 1,3,2-Dioxaborolane,4,4,5,5-tetramethyl-2-(phenylmethyl)-
  • Benzylboronicacidpinacolest
  • 2-benzyl-4,4,5,5-tetramethyl-[1,3,2]dioxaborolane
  • 4,4,5,5-tetramethyl-2-(phenylmethyl)-1,3,2-dioxaborolane
  • 4-BroMo-2-(trifluoroMethoxy)aniline
  • benzylboronic acid pinacolate ester
  • 1,3,2-Dioxaborolane, 4,4,5,5-tetramethyl-2-(phenylmethyl)-
  • benzylboronic pinacol ester
  • benzyl boronic acid pinacol ester
  • YCNQPAVKQPLZRS-UHFFFAOYSA-N
  • ZXBA000111
  • OR9316
  • benzylboronic acid pinacol ester 96%
  • TRA0036915
  • AB21925
  • FCH2716512
  • Benzylboronic acid pinaco
  • Benzylboronic Acid Pinacol Ester
  • 4,4,5,5-Tetramethyl-2-(phenylmethyl)-1,3,2-dioxaborolane
  • 4,4,5,5-Tetramethyl-2-(phenylmethyl)-1,3,2-dioxaborolane (ACI)
  • (1-Phenylmethyl)boronic Acid Pinacol Ester
物化性质
实验特性
LogP 2.08130
PSA 49.69000
折射率 n20/D 1.490
水溶性 Insoluble in water.
沸点 65 °C/0.15 mmHg
熔点 No data available
闪点 华氏:>230 °F
摄氏:>110 °C
颜色与性状 液体
溶解性 未确定
密度 0.980 g/mL at 25 °C
计算特性
精确分子量 236.15800
氢键供体数量 0
氢键受体数量 2
可旋转化学键数量 2
同位素质量 218.148
重原子数量 16
复杂度 228
同位素原子数量 0
确定原子立构中心数量 0
不确定原子立构中心数量 0
确定化学键立构中心数量 0
不确定化学键立构中心数量 0
共价键单元数量 1
疏水参数计算参考值(XlogP)
互变异构体数量
表面电荷 0
拓扑分子极性表面积 18.5
海关数据
海关编码 2934999090
海关数据

中国海关编码:

2934999090

概述:

2934999090. 其他杂环化合物. 增值税率:17.0%. 退税率:13.0%. 监管条件:无. 最惠国关税:6.5%. 普通关税:20.0%

申报要素:

品名, 成分含量, 用途

Summary:

2934999090. other heterocyclic compounds. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%

合成路线

合成路线:1 步

反应条件:
参考文献:
Iron-Catalyzed Borylation of Alkyl Electrophiles
Atack, Thomas C.; et al, Journal of the American Chemical Society, 2014, 136(27), 9521-9523

合成路线:1 步

反应条件:
参考文献:
Iron-Catalyzed Borylation of Alkyl, Allyl, and Aryl Halides: Isolation of an Iron(I) Boryl Complex
Bedford, Robin B.; et al, Organometallics, 2014, 33(21), 5940-5943

合成路线:1 步

反应条件:
参考文献:
Facile synthesis of alkyl- and arylboronate esters enabled by a carbon nanotube supported copper catalyst
Saini, Suresh; et al, Catalysis Science & Technology, 2023, 13(1), 147-156

合成路线:1 步

反应条件:
参考文献:
Pd-Catalyzed Organometallic-Free Homologation of Arylboronic Acids Enabled by Chemoselective Transmetalation
Bastick, Kane A. C.; et al, ACS Catalysis, 2023, 13(10), 7013-7018

合成路线:1 步

反应条件:
参考文献:
Pd-catalyzed cross-coupling of 1,1-diborylalkanes with aryl triflates
Cui, Long-Can; et al, RSC Advances, 2016, 6(57), 51932-51935

合成路线:1 步

反应条件:
参考文献:
Iron-Catalyzed Borylation of Alkyl, Allyl, and Aryl Halides: Isolation of an Iron(I) Boryl Complex
Bedford, Robin B.; et al, Organometallics, 2014, 33(21), 5940-5943

合成路线:1 步

反应条件:
参考文献:
Electrochemically Driven Deoxygenative Borylation of Alcohols and Carbonyl Compounds
Guan, Weiyang; et al, Journal of the American Chemical Society, 2023, 145(31), 16966-16972

合成路线:1 步

反应条件:
参考文献:
Metal-Free Direct Deoxygenative Borylation of Aldehydes and Ketones
Li, Jianbin ; et al, Journal of the American Chemical Society, 2020, 142(30), 13011-13020

合成路线:1 步

反应条件:
参考文献:
Efficient synthesis of alkylboronic esters via magnetically recoverable copper nanoparticle-catalyzed borylation of alkyl chlorides and bromides
Shegavi, Mahadev L.; et al, Green Chemistry, 2020, 22(9), 2799-2803

合成路线:1 步

反应条件:
参考文献:
Highly Selective Hydroboration of Alkenes, Ketones and Aldehydes Catalyzed by a Well-Defined Manganese Complex
Zhang, Guoqi; et al, Angewandte Chemie, 2016, 55(46), 14369-14372

合成路线:1 步

反应条件:
参考文献:
Making Dimethylamino a Transformable Directing Group by Nickel-Catalyzed C-N Borylation
Zhang, Hua; et al, Chemistry - A European Journal, 2015, 21(47), 16796-16800

合成路线:1 步

反应条件:
参考文献:
One-carbon homologation of arylboronic acids: a convenient approach to the synthesis of pinacol benzylboronates
Wu, Chaoqiang; et al, Organic Chemistry Frontiers, 2016, 3(7), 817-822

合成路线:1 步

反应条件:
参考文献:
Cobalt-catalyzed benzylic borylation: enabling polyborylation and functionalization of remote, unactivated C(sp3)-H bonds
Palmer, W. Neil; et al, Journal of the American Chemical Society, 2016, 138(3), 766-769

合成路线:1 步

反应条件:
参考文献:
An Opportunity for Mg-Catalyzed Grignard-Type Reactions: Direct Coupling of Benzylic Halides with Pinacolborane with 10 mol% of Magnesium
Pintaric, Christine; et al, Journal of the American Chemical Society, 2010, 132(34), 11825-11827

合成路线:1 步

反应条件:
参考文献:
4,4,4',4',5,5,5',5'-Octamethyl-2,2'-bi-1,3,2-dioxaborolane
Ishiyama, Tatsuo; et al, e-EROS Encyclopedia of Reagents for Organic Synthesis, 2013, 1, 1-13

合成路线:1 步

反应条件:
参考文献:
Iodine-Catalyzed Borylation of Benzylic Alcohols
Yin, Chunyu; et al, Organic Letters, 2023, 25(10), 1701-1705

合成路线:1 步

反应条件:
参考文献:
Electrochemically Driven Deoxygenative Borylation of Alcohols and Carbonyl Compounds
Guan, Weiyang; et al, Journal of the American Chemical Society, 2023, 145(31), 16966-16972

合成路线:1 步

反应条件:
参考文献:
Photochemical Organocatalytic Borylation of Alkyl Chlorides, Bromides, and Sulfonates
Mazzarella, Daniele ; et al, ACS Catalysis, 2019, 9(7), 5876-5880

合成路线:1 步

反应条件:
参考文献:
Homologation of representative boronic esters using in situ generated (halomethyl)lithiums: A comparative study
Soundararajan, Raman; et al, Tetrahedron Letters, 1994, 35(48), 8957-60

合成路线:1 步

反应条件:
参考文献:
Efficient synthesis of alkylboronic esters via magnetically recoverable copper nanoparticle-catalyzed borylation of alkyl chlorides and bromides
Shegavi, Mahadev L.; et al, Green Chemistry, 2020, 22(9), 2799-2803

合成路线:1 步

反应条件:
参考文献:
Facile synthesis of alkyl- and arylboronate esters enabled by a carbon nanotube supported copper catalyst
Saini, Suresh; et al, Catalysis Science & Technology, 2023, 13(1), 147-156

合成路线:1 步

反应条件:
参考文献:
Photoinduced decarboxylative borylation of carboxylic acids
Fawcett, Alexander ; et al, Science (Washington, 2017, 357(6348), 283-286

合成路线:1 步

反应条件:
参考文献:
Electrochemically Driven Deoxygenative Borylation of Alcohols and Carbonyl Compounds
Guan, Weiyang; et al, Journal of the American Chemical Society, 2023, 145(31), 16966-16972

合成路线:1 步

参考文献:
Product subclass 34: benzylboranes and benzylboronates
Zaidlewicz, M.; et al, Science of Synthesis, 2004, 6, 921-943

合成路线:1 步

反应条件:
参考文献:
C(sp3)-H Selective Benzylic Borylation by In Situ Reduced Ultrasmall Ni Species on CeO2
Yoshii, Daichi; et al, ACS Catalysis, 2021, 11(4), 2150-2155

合成路线:1 步

反应条件:
参考文献:
Pinacolborane
Ramachandran, P. Veeraraghavan; et al, e-EROS Encyclopedia of Reagents for Organic Synthesis, 2014, 1, 1-7

合成路线:1 步

反应条件:
参考文献:
Electrosynthesis of benzylboronic acids and esters
Pintaric, C.; et al, Tetrahedron Letters, 2004, 45(43), 8031-8033

合成路线:1 步

反应条件:
参考文献:
Palladium-catalyzed benzylic C-H borylation of alkylbenzenes with bis(pinacolato)diboron or pinacolborane
Ishiyama, Tatsuo; et al, Chemistry Letters, 2001, (11), 1082-1083

合成路线:1 步

反应条件:
参考文献:
Photoinduced Radical Borylation of Alkyl Bromides Catalyzed by 4-Phenylpyridine
Zhang, Li; et al, Angewandte Chemie, 2020, 59(5), 2095-2099

合成路线:1 步

反应条件:
参考文献:
Nickel-catalyzed borylation of aryl- and benzyltrimethylammonium salts via C-N bond cleavage
Hu, Jiefeng; et al, Journal of Organic Chemistry, 2016, 81(1), 14-24
相关文献
专业数据库参考
PubChemId 3864964
参考资料
Reaxys RN 8312835
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