CAS: 147663-04-5; 3-(2-(4-(6-Fluorobenzo[d]Isoxazol-3-yl)Piperidin-1-yl)Ethyl)-7-Hydroxy-2-Methyl-6,7,8,9-Tetrahydro-4H-Pyrido[1,2-A]Pyrimidin-4-One

英文名称3-(2-(4-(6-Fluorobenzo[d]Isoxazol-3-yl)Piperidin-1-yl)Ethyl)-7-Hydroxy-2-Methyl-6,7,8,9-Tetrahydro-4H-Pyrido[1,2-A]Pyrimidin-4-One
中文名称7-羟基利培酮
IUPAC名称3-(2-(4-(6-fluorobenzo[d]isoxazol-3-yl)piperidin-1-yl)ethyl)-7-hydroxy-2-methyl-6,7,8,9-tetrahydro-4H-pyrido[1,2-a]pyrimidin-4-one
其它别名9-Hydroxy-Risperidone; Abwpqnzpaoaqsg-Uhfffaoysa-N; 3-[2-[4-(6-Fluoro-1,2-Benzoxazol-3-yl)-1-Piperidyl]Ethyl]-7-Hydroxy-2-Methyl-6,7,8,9-Tetrahydropyrido[1,2-A]Pyrimidin-4-One; 3-[2-[4-(6-Fluoro-1,2-Benzoxazol-3-yl)Piperidin-
CAS编号147663-04-5
MFCD编号:MFCD08063701
分子式:C23H27FN4O3分子量:426.49
产品CID: 706168
产品分类原料药 → 神经系统用药 → 抗精神病药

相似结构搜索
InChIKey: ABWPQNZPAOAQSG-UHFFFAOYSA-N
InChI=1S/C23H27FN4O3/c1-14-18(23(30)28-13-17(29)3-5-21(28)25-14)8-11-27-9-6-15(7-10-27)22-19-4-2-16(24)12-20(19)31-26-22/h2,4,12,15,17,29H,3,5-11,13H2,1H3
计算化学: 氢键受体数7.0氢键供体数1.0可旋转键数4.0

物理性质

熔点151-153°C
沸点612.3±65.0 °C(预测)
闪点324.1 °C
密度1.45±0.1 g/cm3(预测)
pKa:13.89±0.60(预测)
PSA:84.39
LogP:2.4991
折射率1.691
蒸汽压7.54E-16 mmHg at 25 °C
溶解性Chloroform (Slightly), Methanol (Slightly)
外观形态白色固体
储存条件-20°C 冷藏

MSDS等安全信息

警示词warning
危险描述H303May be harmful if swallowed+H313Skin contact may be harmful+H333Inhalation may be harmful to the body
防范说明P264+P280+P305+P351+P338+P337+P313
安全声明H303+H313+H333

上下游产品

3-[2-[4-(6-fluoro-1,2-benzisoxazol-3-yl)-1-piperidinyl]ethyl]-6,7,8,9-tetrahydro-7-methoxy-2-methyl-4H-pyrido[1,2-a]-pyrimidin-4-one chloroform

合成工艺路线路线简述

📜3-[2-[4-(6-氟-1,2-苯并异恶唑-3-基)-1-哌啶基]乙基]-6,7,8,9-四氢-7-甲氧基-2-甲基-4H-吡啶并[1,2-A]嘧啶-4-酮,碘代三甲硅烷置于sodium Hydroxide,氯仿,Silica Gel,甲醇体系中,用乙腈用作溶剂,化学反应 32.0H,以yielding 0.3 Parts (3.7%) Of 3-[2-[4-(6-Fluoro-1,2-Benzisoxazol-3-yl)-1-Piperidinyl]Ethyl]-6,7,8,9-Tetrahydro-7-Hydroxy-2-Methyl-4H-Pyrido[1,2-A]-Pyrimidin-4-One的收率获得7-羟基利培酮
参考文献:3-[2-[4-(6-Fluoro-1,2-Benzisoxozol-3-yl)-1-Piperidinyl]Ethyl]-6,7,8,9
标题:3-[2-[4-(6-Fluoro-1,2-Benzisoxozol-3-yl)-1-Piperidinyl]Ethyl]-6,7,8,9
摘要:本发明涉及一种新型3-哌啶基-1,2-苯并异噁唑具有长效抗精神病特性,适用于治疗患有精神疾病的温血动物.本发明还涉及制备该化合物的方法和含有该化合物的组合物.

海关参考信息

2905122000-异丙醇
2905142000-仲丁醇
2921199090-其他无环单胺
💡 提示：海关信息按照顺序优先匹配，如需确认的海关信息，请参考相关资料。
详情请参考：📖 海关编码查询和海关进出口税则

专利信息

专利号:US-9012648-B2
优先权日:2012-08-21
标题 :Haptens of risperidone and paliperidone
发明人：HASPESLAGH PIETER RIK; VLIEGEN MAARTEN; HRYHORENKO ERIC; DECORY THOMAS R; SANKARAN BANUMATHI
权利人:JANSSEN PHARMACEUTICA NV; ORTHO CLINICAL DIAGNOSTICS INC
摘要:The invention relates to compounds of Formula I, wherein R1 and R2 are defined in the specification, useful for the synthesis of novel conjugates and immunogens derived from risperidone and paliperidone. The invention also relates to conjugates of a risperidone or paliperidone hapten and a protein.

专利号:US-9394354-B2
优先权日:2012-08-21
标题 :Haptens of paliperidone
发明人：HASPESLAGH PIETER RIK; VLIEGEN MAARTEN; HRYHORENKO ERIC; DECORY THOMAS R; SANKARAN BANUMATHI
权利人:JANSSEN PHARMACEUTICA NV; ORTHO CLINICAL DIAGNOSTICS INC
摘要:The invention relates to compounds of Formula I, wherein L 1 , L 2 , and L 3 are defined in the specification, useful for the synthesis of novel conjugates and immunogens derived from paliperidone. The invention also relates to conjugates of a paliperidone hapten and a protein.