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雷洛昔芬二甲氧基杂质 | 84541-38-8

雷洛昔芬二甲氧基杂质结构式图片|84541-38-8结构式图片
雷洛昔芬二甲氧基杂质
Raloxifene Bismethyl Ether
84541-38-8
C30H31NO4S
501.636447191238
如需查看该化合物的详细结构式,mol文件,smile,InChi 请点击:雷洛昔芬二甲氧基杂质结构式
名称和标识符
InChIKey MSRYQTKAUSVEDP-UHFFFAOYSA-N
Inchi 1S/C30H31NO4S/c1-33-23-10-8-22(9-11-23)30-28(26-15-14-25(34-2)20-27(26)36-30)29(32)21-6-12-24(13-7-21)35-19-18-31-16-4-3-5-17-31/h6-15,20H,3-5,16-19H2,1-2H3
SMILES O=C(C1C2C(=CC(=CC=2)OC)SC=1C1C=CC(OC)=CC=1)C1C=CC(OCCN2CCCCC2)=CC=1
别名信息
- 中文别名 -
  • 雷洛昔芬二甲基醚
  • 雷洛昔芬二甲氧基杂质
- 英文别名 -
  • Methanone,[6-methoxy-2-(4-methoxyphenyl)benzo[b]thien-3-yl][4-[2-(1-piperidinyl)ethoxy]phenyl]-
  • Raloxifene Bismethyl Ether
  • (6-methoxy-2-(4-methoxyphenyl)benzo[b]thiophen-3-yl)(4-(2-(piperidin-1-yl)ethoxy)phenyl)methan...
  • [6-methoxy-2-(4-methoxyphenyl)-1-benzothiophen-3-yl]-[4-(2-piperidin-1-ylethoxy)phenyl]methanone
  • Raloxifene Bismethyl
  • (4-(2-(piperidin-1-yl)ethoxy)phenyl)(6-methoxy-2-(4-methoxyphenyl)benzo[b]thiophen-3-yl)methanone
  • [6-methoxy-2-(4-methoxyphenyl)benzo[b]thi
  • 1-(2-{4-[6-Methoxy-2-(4-methoxy-phenyl)-benzo[b]thiophene-3-carbonyl]-phenoxy}-ethyl)-piperidin
  • 1-(2-{4-[6-methoxy-2-(4-methoxyphenyl)-benzo[b]thiophene-3-carbonyl]-phenoxy}-ethyl)-piperidine
  • 6-methoxy-2-(4-methoxyphenyl)-3-[4-(2-piperidinylethoxy)benzoyl]benzo[b]thiophene
  • [6-Methoxy-2-(4-methoxyphenyl)benzo[b]thien-3-yl][4-[2-(1-piperidinyl)ethoxy]phenyl]methanone (ACI)
物化性质
实验特性
LogP 6.61910
PSA 76.24000
熔点 75-85°C
计算特性
精确分子量 501.19700
合成路线

合成路线:1 步

反应条件:
参考文献:
Piperidine Nucleophilic Substitution Without Solvent: An Efficient Synthesis of Raloxifene
Yang, Yewei; et al, Synthetic Communications, 2014, 44(22), 3271-3276

合成路线:1 步

反应条件:
参考文献:
Palladium catalyzed chloroethoxylation of aromatic and heteroaromatic chlorides: an orthogonal functionalization of a chloroethoxy linker
Petho, Balint; et al, Organic & Biomolecular Chemistry, 2018, 16(26), 4895-4899

合成路线:1 步

反应条件:
参考文献:
Nucleophilic aromatic substitution on 3-aroyl-2-arylbenzothiophenes. Rapid access to raloxifene and other selective estrogen receptor modulators
Schmid, Christopher R.; et al, Tetrahedron Letters, 1999, 40(4), 675-678

合成路线:1 步

反应条件:
参考文献:
Nucleophilic aromatic substitution on 3-aroyl-2-arylbenzothiophenes. Rapid access to raloxifene and other selective estrogen receptor modulators
Schmid, Christopher R.; et al, Tetrahedron Letters, 1999, 40(4), 675-678

合成路线:1 步

反应条件:
参考文献:
Processes for preparing 3-(benzoyl)-2-(4-hydroxyphenyl)benzothiophenes
, European Patent Organization, , ,

合成路线:1 步

反应条件:
参考文献:
Direct synthesis of 3-acylbenzothiophenes via the radical cyclization of 2-alkynylthioanisoles with α-oxocarboxylic acids
Liu, Wei; et al, Chemical Communications (Cambridge, 2018, 54(100), 14148-14151

合成路线:1 步

反应条件:
参考文献:
An efficient synthesis of raloxifene in ionic liquid. A green approach
Shinde, Pravin S.; et al, Letters in Organic Chemistry, 2009, 6(1), 8-10

合成路线:1 步

反应条件:
参考文献:
Processes for preparing 3-(benzoyl)-2-(4-hydroxyphenyl)benzothiophenes
, European Patent Organization, , ,

合成路线:1 步

反应条件:
参考文献:
Nucleophilic aromatic substitution on 3-aroyl-2-arylbenzothiophenes. Rapid access to raloxifene and other selective estrogen receptor modulators
Schmid, Christopher R.; et al, Tetrahedron Letters, 1999, 40(4), 675-678
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