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(3S)-3-[4-[(5-溴-2-氯苯基)甲基]苯氧基]四氢呋喃 | 915095-89-5

(3S)-3-[4-[(5-溴-2-氯苯基)甲基]苯氧基]四氢呋喃
(3S)-3-4-(5-Bromo-2-chlorophenyl)methylphenoxytetrahydrofuran
915095-89-5
C17H16BrClO2
367.664743423462
如需查看该化合物的详细结构式,mol文件,smile,InChi 请点击:(3S)-3-[4-[(5-溴-2-氯苯基)甲基]苯氧基]四氢呋喃结构式
名称和标识符
MDL MFCD27920793
InChIKey HUNLNKBDQXGMAP-INIZCTEOSA-N
Inchi 1S/C17H16BrClO2/c18-14-3-6-17(19)13(10-14)9-12-1-4-15(5-2-12)21-16-7-8-20-11-16/h1-6,10,16H,7-9,11H2/t16-/m0/s1
SMILES C(C1C=CC(O[C@@H]2COCC2)=CC=1)C1C=C(Br)C=CC=1Cl
别名信息
- 中文别名 -
  • (3S)-3-[4-[(5-溴-2-氯苯基)甲基]苯氧基]四氢呋喃
  • (3S)-3-[4-[(5-溴-2-氯苯基)甲基]苯氧基]四氢呋喃(依帕列净中间体)
  • (S)-3-(4-(2-氯-5-溴苄基)-苯氧基)-四氢呋喃
  • (S)-3-(4-(5-溴-2-氯苄基)苯氧基)四氢呋喃
  • 恩格列净中间体3
  • 依帕列净中间体I
  • 依帕列净中间体
- 英文别名 -
  • (S)-3-(4-(5-Bromo-2-chlorobenzyl)phenoxy)tetrahydrofuran
  • (3S)-3-[4-[(5-bromo-2-chlorophenyl)methyl]phenoxy]oxolane
  • (3S)-3-[4-[(5-Bromo-2-chlorophenyl)methyl]phenoxy]tetra Hydrofuran
  • (3S)-3-[4-[(5-Bromo-2-chlorophenyl)methyl]phenoxy]tetrahydro-furan
  • (S)-3-(4-(5-bromo-2-chlorobenzyl)phenoxy)-tetrahydrofuran
  • (S)-4-bromo-1-chloro-2-(4-tetrahydrofuran-3-yloxy-benzyl)-benzene
  • Furan, 3-[4-[(5-broMo-2-chlorophenyl)Methyl]phenoxy]tetrahydro-, (3S)-
  • (3S)-3-[4-[(5-bromo-2-chlorophenyl)methyl]phenoxy]tetrahydrofuran
  • (S)-3-(4-(5-bromo-2-chlorobenzyl)phenoxy) tetrahydrofuran
  • (3S)-3-{4-[(5-bromo-2-chlorophenyl)methyl]phenoxy}oxolane
  • AK144268
  • BCP11193
  • SB17550
  • ST24036093
  • (S
  • (3S)-3-[4-[(5-Bromo-2-chlorophenyl)methyl]phenoxy]tetrahydrofuran (ACI)
  • (3S)-3-[4-[(5-Bromo-2-chlorophenyl)methyl]phenoxy]oxolane
  • (S)-4-Bromo-1-chloro-2-(4-tetrahydrofuran-3-yloxy-benzyl)-benzene
  • (3S)-3-4-(5-Bromo-2-chlorophenyl)methylphenoxytetrahydrofuran
物化性质
实验特性
沸点 459.1°C at 760 mmHg
密度 1.431±0.06 g/cm3 (20 ºC 760 Torr)
计算特性
氢键供体数量 0
氢键受体数量 2
可旋转化学键数量 4
重原子数量 21
复杂度 320
拓扑分子极性表面积 18.5
合成路线

合成路线:1 步

反应条件:
参考文献:
A NEW HETEROCYCLIC COMPOUND: CRYSTAL STRUCTURE AND ANTICANCER ACTIVITY AGAINST HUMAN LUNG ADENOCARCINOMA CELLS
Shi, E. H.; Wang, L. R.; Zhao, S.; Shen, L.; Zhang, C. Y.; et al, Journal of Structural Chemistry, 2020, 61(7), 1167-1174

合成路线:1 步

反应条件:
参考文献:
Enantioselective Hydrogenation toward Chiral 3-Aryloxy Tetrahydrofurans Enabled by Spiro Ir-PNN Catalysts Containing an Unusual 5-Substituted Chiral Oxazoline Unit
Gu, Xue-Song; Xiong, Ying; Yang, Fan; Yu, Na; Yan, Pu-Cha; et al, ACS Catalysis, 2022, 12(4), 2206-2211

合成路线:1 步

反应条件:
参考文献:
Efficient Synthesis of Empagliflozin, an Inhibitor of SGLT-2, Utilizing an AlCl3-Promoted Silane Reduction of a β-Glycopyranoside
Wang, Xiao-jun; Zhang, Li; Byrne, Denis; Nummy, Larry; Weber, Dirk; et al, Organic Letters, 2014, 16(16), 4090-4093

合成路线:1 步

反应条件:
参考文献:
A novel, simple and mild route for synthesis of dimer impurities of gliflozins by using PD (DBA)2
Rane, Rajesh A.; Suryawanshi, Mugdha R.; Babhulkar, Gauri V.; Male, Rohit D.; Ketkale, Sneha B.; et al, European Journal of Biomedical and Pharmaceutical Sciences, 2022, 9(10), 340-345

合成路线:1 步

反应条件:
参考文献:
Discovery of a Potent, Selective Renal Sodium-Dependent Glucose Cotransporter 2 (SGLT2) Inhibitor (HSK0935) for the Treatment of Type 2 Diabetes
Li, Yao ; Shi, Zongjun; Chen, Lei; Zheng, Suxin; Li, Sheng; et al, Journal of Medicinal Chemistry, 2017, 60(10), 4173-4184
化合物详情(旧版)

SMILES:BrC1=CC(CC2=CC=C(C=C2)O[C@@H]3COCC3)=C(Cl)C=C1
ExSMILES:366.00228
InChI:
InChIKey:
IUPACName:
分子式:FormulaHtmlC17H16O2ClBr

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