雷洛昔芬（CAS 84449-90-1）：分子式 C28H27NO4S、分子量 473.6。
| CAS号 | 84449-90-1 |
|---|---|
| 分子式 | C28H27NO4S |
| 分子量 | 473.6 |
| 熔点 | 268-272 |
| LogP | 5.2 |
| 应用领域 | Uses: Estrogen Antagonists、Selective Estrogen Receptor Modulators、Bone Density Conservation Agents、MEDICATION、Use Classification: Pharmaceuticals、Methods of Manufacturing: Condensation of alpha-bromo-p-methoxyacetophenone with m-methoxythiophenol using polyphosphoric acid yields alpha-(m-methoxyphenylthio)-p-methoxy-acetophenone、which is cyclized by a Friedel-Crafts-type reaction to form 2-(p-methoxyphenyl)-6-methoxybenzothiazole. The methoxyphenyl group apparently shifts from the theoretical 3- to the 2-position on the thiazole ring. The two methyl ether groups are removed and the resulting phenols reacted with methanesufonyl chloride to form the sulfonate ester (I). Methyl paraben is alkylated with 1-(2-chloroethyl)piperidine to yield the piperidinoethyl ether、the ester is hydrolyzed to the acid and converted to the acyl halide (II). Compound I is then acylated with II (Friedel-Crafts)、which attaches the carbonyl group to the 3-position of the thiazole ring、and finally the sulfonate esters are hydrolyzed to the free base of the title compound.、Preparation ... C. D. Jones、European Patent Office patent 62503、idem、United States of America patent 4418068 (1982、1983 both to Lilly).、Formulations、Preparations: Table: Raloxifene Hydrochloride Preparations [Table#7118] |
登记用途：Uses: Estrogen Antagonists、Selective Estrogen Receptor Modulators、Bone Density Conservation Agents、MEDICATION、Use Classification: Pharmaceuticals、Methods of Manufacturing: Condensation of alpha-bromo-p-methoxyacetophenone with m-methoxythiophenol using polyphosphoric acid yields alpha-(m-methoxyphenylthio)-p-methoxy-acetophenone、which is cyclized by a Friedel-Crafts-type reaction to form 2-(p-methoxyphenyl)-6-methoxybenzothiazole. The methoxyphenyl group apparently shifts from the theoretical 3- to the 2-position on the thiazole ring. The two methyl ether groups are removed and the resulting phenols reacted with methanesufonyl chloride to form the sulfonate ester (I). Methyl paraben is alkylated with 1-(2-chloroethyl)piperidine to yield the piperidinoethyl ether、the ester is hydrolyzed to the acid and converted to the acyl halide (II). Compound I is then acylated with II (Friedel-Crafts)、which attaches the carbonyl group to the 3-position of the thiazole ring、and finally the sulfonate esters are hydrolyzed to the free base of the title compound.、Preparation ... C. D. Jones、European Patent Office patent 62503、idem、United States of America patent 4418068 (1982、1983 both to Lilly).、Formulations、Preparations: Table: Raloxifene Hydrochloride Preparations [Table#7118]。
雷洛昔芬 是一种化工化合物，登记 CAS 号为 84449-90-1，分子式 C28H27NO4S（分子量 473.6）。
登记 CAS 号：84449-90-1
其分子式 C28H27NO4S 由 28 个碳、27 个氢、1 个氮、4 个氧、1 个硫 组成。
别名/同义词：雷洛昔芬 · Raloxifene
雷洛昔芬 的 CAS 登记号为 84449-90-1。
分子式 C28H27NO4S，分子量 473.6。
别名/同义词：雷洛昔芬、Raloxifene。
登记用途：Uses: Estrogen Antagonists、Selective Estrogen Receptor Modulators、Bone Density Conservation Agents、MEDICATION、Use Classification: Pharmaceuticals、Methods of Manufacturing: Condensation of alpha-bromo-p-methoxyacetophenone with m-methoxythiophenol using polyphosphoric acid yields alpha-(m-methoxyphenylthio)-p-methoxy-acetophenone、which is cyclized by a Friedel-Crafts-type reaction to form 2-(p-methoxyphenyl)-6-methoxybenzothiazole. The methoxyphenyl group apparently shifts from the theoretical 3- to the 2-position on the thiazole ring. The two methyl ether groups are removed and the resulting phenols reacted with methanesufonyl chloride to form the sulfonate ester (I). Methyl paraben is alkylated with 1-(2-chloroethyl)piperidine to yield the piperidinoethyl ether、the ester is hydrolyzed to the acid and converted to the acyl halide (II). Compound I is then acylated with II (Friedel-Crafts)、which attaches the carbonyl group to the 3-position of the thiazole ring、and finally the sulfonate esters are hydrolyzed to the free base of the title compound.、Preparation ... C. D. Jones、European Patent Office patent 62503、idem、United States of America patent 4418068 (1982、1983 both to Lilly).、Formulations、Preparations: Table: Raloxifene Hydrochloride Preparations [Table#7118]。
雷洛昔芬（CAS 84449-90-1）的独立参考数据，整理自公开化学数据库。
| CAS Registry Number | 84449-90-1 |
|---|---|
| PubChem CID | 5035 |
| Molecular formula | C28H27NO4S |
| IUPAC name | [6-hydroxy-2-(4-hydroxyphenyl)-1-benzothiophen-3-yl]-[4-(2-piperidin-1-ylethoxy)phenyl]methanone |
| UNII (FDA) | YX9162EO3I |
| Molecular Weight | 473.6 |
|---|---|
| XLogP3 | 6.1 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 6 |
| Rotatable Bond Count | 7 |
| Exact Mass | 473.16607952 |
| Monoisotopic Mass | 473.16607952 |
| Topological Polar Surface Area | 98.2 |
| Heavy Atom Count | 34 |
| Melting Point | 268-272 |
|---|---|
| Melting Point | 143-147 °C |
| Melting Point | 143 - 147 °C |
| Solubility | 5.12e-04 g/L |
| LogP | 5.2 |
| LogP | 4.48 |
raloxifene; 84449-90-1; Keoxifene; Raloxifeno; Raloxifenum; Raloxifenum [Latin]; Raloxiphene; LY-139481; Eviden; Raxeto; LY 139481; DTXSID3023550; NSC-747974; YX9162EO3I; J22.982B; (2-(4-Hydroxyphenyl)-6-hydroxybenzo(b)thien-3-yl)(4-(2-(1-piperidinyl)ethoxy)phenyl)methanone
| Reported hazard statements | H302 (33.3%), H311 (66.7%), H315 (33.3%), H319 (33.3%), H332 (33.3%), H335 (33.3%), H360 (66.7%), H411 (66.7%) |
|---|
H302 (33.3%): Harmful if swallowed [Warning Acute toxicity, oral]
H311 (66.7%): Toxic in contact with skin [Danger Acute toxicity, dermal]
Raloxifene · CAS 84449-90-1 · C28H27NO4S. UNII YX9162EO3I. Melting Point: 268-272; Melting Point: 143-147 °C; Melting Point: 143 - 147 °C.
数据来源：PubChem / Wikidata；与随货 COA 不一致时以 COA 为准。
English page: Raloxifene