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3-氯-5-甲氧基苯硼酸频那醇酯 | 929626-16-4

3-氯-5-甲氧基苯硼酸频那醇酯结构式图片|929626-16-4结构式图片
3-氯-5-甲氧基苯硼酸频那醇酯
3-Chloro-5-methoxyphenylboronic acid, pinacol ester
929626-16-4
C13H18BClO3
268.544223308563
如需查看该化合物的详细结构式,mol文件,smile,InChi 请点击:3-氯-5-甲氧基苯硼酸频那醇酯结构式
46739618
名称和标识符
MDL MFCD12405332
InChIKey GEONBEFVLDNCSM-UHFFFAOYSA-N
Inchi 1S/C13H18BClO3/c1-12(2)13(3,4)18-14(17-12)9-6-10(15)8-11(7-9)16-5/h6-8H,1-5H3
SMILES ClC1C=C(B2OC(C)(C)C(C)(C)O2)C=C(OC)C=1
别名信息
- 中文别名 -
  • 3-氯-5-甲氧基苯硼酸频那醇酯
- 英文别名 -
  • 2-(3-Chloro-5-methoxyphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
  • (3-chloro-5-methoxyphenyl)boronic acid pinacol ester
  • 1,3,2-Dioxaborolane, 2-(3-chloro-5-methoxyphenyl)-4,4,5,5-tetramethyl-
  • 2-(3-Chloro-5-methoxy-phenyl)-4,4,5,5-tetramethyl-[1,3,2]dioxaborolane
  • 3-Chloro-5-methoxyphenylboronic acid, pinacol ester
  • MeOC6H3ClB(pinacolato)
  • MeOClC6H3B(pin)
  • 2-(3-Chloro-5-methoxyphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane (ACI)
  • (3-Chloro-5-methoxyphenyl)boronic acid pinacol ester
物化性质
实验特性
LogP 2.64780
PSA 27.69000
计算特性
精确分子量 268.10400
氢键供体数量 0
氢键受体数量 3
可旋转化学键数量 2
重原子数量 18
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:
Double N,B-Type Bidentate Boryl Ligands Enabling a Highly Active Iridium Catalyst for C-H Borylation
Wang, Guanghui; Xu, Liang; Li, Pengfei, Journal of the American Chemical Society, 2015, 137(25), 8058-8061

合成路线:1 步

反应条件:
参考文献:
NNB-type tridentate boryl ligands enabling a highly active iridium catalyst for C-H borylation
Ding, Siyi ; Wang, Linghua; Miao, Zongcheng; Li, Pengfei, Molecules, 2019, 24(7),

合成路线:1 步

反应条件:
参考文献:
Preparation of amino-imidazolone compounds for treating cognitive impairment, Alzheimer's disease, neurodegeneration and dementia
, World Intellectual Property Organization, , ,

合成路线:1 步

反应条件:
参考文献:
Preparation of amino-imidazolines and their use as a medicament for treating cognitive impairment, Alzheimer's disease, neurodegeneration and dementia
, World Intellectual Property Organization, , ,

合成路线:1 步

反应条件:
参考文献:
Harnessing C-H Borylation/Deborylation for Selective Deuteration, Synthesis of Boronate Esters, and Late Stage Functionalization
Kallepalli, Venkata A.; Gore, Kristin A.; Shi, Feng; Sanchez, Luis; Chotana, Ghayoor A.; et al, Journal of Organic Chemistry, 2015, 80(16), 8341-8353

合成路线:1 步

反应条件:
参考文献:
Arenes to anilines and aryl ethers by sequential iridium-catalyzed borylation and copper-catalyzed coupling
Tzschucke, C. Christoph; Murphy, Jaclyn M.; Hartwig, John F., Organic Letters, 2007, 9(5), 761-764

合成路线:1 步

反应条件:
参考文献:
Microwave-assisted, Ir-catalyzed aromatic C-H borylation
Li, Zeqing; Liang, Zhibin; Wang, Yuqiang; Pei, Yu, Research on Chemical Intermediates, 2013, 39(4), 1917-1926

合成路线:1 步

反应条件:
参考文献:
Preparation of benzazine heterocyclic compounds preventing, treating or alleviating RORγt-mediated diseases in patients
, China, , ,

合成路线:1 步

反应条件:
参考文献:
Di-μ-methoxobis(1,5-cyclooctadiene)-diiridium(I)
Li, Hongbo; Colacot, Thomas J., e-EROS Encyclopedia of Reagents for Organic Synthesis, 2010, 1, 1-4

合成路线:1 步

反应条件:
参考文献:
Understanding the Activation of Air-Stable Ir(COD)(Phen)Cl Precatalyst for C-H Borylation of Aromatics and Heteroaromatics
Slack, Eric D.; Colacot, Thomas J., Organic Letters, 2021, 23(5), 1561-1565

合成路线:1 步

反应条件:
参考文献:
Highly active, separable and recyclable bipyridine iridium catalysts for C-H borylation reactions
Mamlouk, Hind; Suriboot, Jakkrit; Manyam, Praveen Kumar; AlYazidi, Ahmed; Bergbreiter, David E.; et al, Catalysis Science & Technology, 2018, 8(1), 124-127

合成路线:1 步

反应条件:
参考文献:
Iridium-Catalyzed Preparation of Silylboranes by Silane Borylation and Their Use in the Catalytic Borylation of Arenes
Boebel, Timothy A.; Hartwig, John F., Organometallics, 2008, 27(22), 6013-6019

合成路线:1 步

反应条件:
参考文献:
Di--methoxobis(1,5-cyclooctadiene)diiridium(I)
Li, Hongbo; Colacot, Thomas J., e-EROS Encyclopedia of Reagents for Organic Synthesis, 2007, ,

合成路线:1 步

参考文献:
Product class 2: chloroarenes
Stanforth, S. P., Science of Synthesis, 2007, 31, 79-120
专业数据库参考
PubChemId 46739618
化合物详情(旧版)

SMILES

COC1C=C(C=C(Cl)C=1)B2OC(C)(C)C(C)(C)O2

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