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4-氟-5-异丙基-2-甲氧基苯硼酸 | 875446-29-0

4-氟-5-异丙基-2-甲氧基苯硼酸
[4-fluoro-2-methoxy-5-(propan-2-yl)phenyl]boronic acid
875446-29-0
C10H14BFO3
212.025766849518
如需查看该化合物的详细结构式,mol文件,smile,InChi 请点击:4-氟-5-异丙基-2-甲氧基苯硼酸结构式
名称和标识符
MDL MFCD16294183
InChIKey HMRRCUXJGOSJJA-UHFFFAOYSA-N
Inchi 1S/C10H14BFO3/c1-6(2)7-4-8(11(13)14)10(15-3)5-9(7)12/h4-6,13-14H,1-3H3
SMILES FC1C(C(C)C)=CC(B(O)O)=C(OC)C=1
别名信息
- 中文别名 -
  • (4-氟-5-异丙基-2-甲氧基苯基)硼酸
  • (4-氟-5-异丙基-2-甲氧基苯基)硼酸 安赛曲匹中间体
  • 2-碘-5-三氟甲基溴苄
  • 4-氟-5-异丙基-2-甲氧基苯硼酸
- 英文别名 -
  • (4-Fluoro-5-isopropyl-2-methoxyphenyl)boronic acid
  • 4-fluoro-5-isopropyl-2- methoxyphenylboronic acid
  • Anacetrapib intermediate-3
  • BORONIC ACID, B-[4-FLUORO-2-METHOXY-5-(1-METHYLETHYL)PHENYL]-
  • (4-fluoro-2-methoxy-5-propan-2-ylphenyl)boronic acid
  • 4-fluoro-5-isopropyl-2-methoxyphenylboronic acid
  • [4-fluoro-2-methoxy-5-(propan-2-yl)phenyl]boronic acid
  • Boronic acid, [4-fluoro-2-methoxy-5-(1-methylethyl)phenyl]-
  • 4-fluoro-5-isopropyl-2-methoxyphenylboronicacid
  • AMBA00082
  • HMRRCUXJGOSJJA-UHFFFAOYSA-N
  • BCP12755
  • PC52031
  • GS-
  • B-[4-Fluoro-2-methoxy-5-(1-methylethyl)phenyl]boronic acid (ACI)
  • Boronic acid, [4-fluoro-2-methoxy-5-(1-methylethyl)phenyl]- (9CI)
物化性质
实验特性
LogP 0.63750
PSA 49.69000
熔点 120-125°C
计算特性
精确分子量 212.10200
氢键供体数量 2
氢键受体数量 4
可旋转化学键数量 3
重原子数量 15
复杂度 201
拓扑分子极性表面积 49.7
海关数据
海关编码 2931900090
海关数据

中国海关编码:

2931900090

概述:

2931900090. 其他有机-无机化合物. 增值税率:17.0%. 退税率:13.0%. 监管条件:AB(入境货物通关单,出境货物通关单). 最惠国关税:6.5%. 普通关税:30.0%

Summary:

2931900090. other organo-inorganic compounds. VAT:17.0%. Tax rebate rate:13.0%. Supervision conditions:AB(certificate of inspection for goods inward,certificate of inspection for goods outward). MFN tariff:6.5%. General tariff:30.0%

合成路线

合成路线:3 步

反应条件:
参考文献:
Biphenyl-Substituted Oxazolidinones as Cholesteryl Ester Transfer Protein Inhibitors: Modifications of the Oxazolidinone Ring Leading to the Discovery of Anacetrapib
Smith, Cameron J.; et al, Journal of Medicinal Chemistry, 2011, 54(13), 4880-4895

合成路线:2 步

反应条件:
参考文献:
Biphenyl-Substituted Oxazolidinones as Cholesteryl Ester Transfer Protein Inhibitors: Modifications of the Oxazolidinone Ring Leading to the Discovery of Anacetrapib
Smith, Cameron J.; et al, Journal of Medicinal Chemistry, 2011, 54(13), 4880-4895

合成路线:1 步

反应条件:
参考文献:
Biphenyl-Substituted Oxazolidinones as Cholesteryl Ester Transfer Protein Inhibitors: Modifications of the Oxazolidinone Ring Leading to the Discovery of Anacetrapib
Smith, Cameron J.; et al, Journal of Medicinal Chemistry, 2011, 54(13), 4880-4895

合成路线:4 步

反应条件:
参考文献:
Biphenyl-Substituted Oxazolidinones as Cholesteryl Ester Transfer Protein Inhibitors: Modifications of the Oxazolidinone Ring Leading to the Discovery of Anacetrapib
Smith, Cameron J.; et al, Journal of Medicinal Chemistry, 2011, 54(13), 4880-4895
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