CAS: 172152-35-1; 2-(((4-Methoxy-3-Methylpyridin-2-yl)Methyl)Thio)-6-(1H-Pyrrol-1-yl)-1H-Benzo[d]Imidazole

英文名称2-(((4-Methoxy-3-Methylpyridin-2-yl)Methyl)Thio)-6-(1H-Pyrrol-1-yl)-1H-Benzo[d]Imidazole
中文名称2-[[(4-甲氧基-3-甲基-2-吡啶基)甲基]硫基]-6-(1H-吡咯-1-基)-1H-苯并咪唑
IUPAC名称2-(((4-methoxy-3-methylpyridin-2-yl)methyl)thio)-6-(1H-pyrrol-1-yl)-1H-benzo[d]imidazole
其它别名2-[[(4-Methoxy-3-Methyl-2-Pyridinyl)Methyl]Thio]-6-(1H-Pyrrol-1-yl)-1H-Benzimidazole; 5-(1H-Pyrrol-1-yl)-2-[(4-Methoxy-3-Methyl-2-Pyridyl)-Methylthio]-1-Hydro-Benzimidazole; Ilaprazole Impurity 1 (Desoxy Ilaprazole); 1H-Benzimidazole, 2-[[(4-Methoxy-3-Methyl-2-Pyridinyl)Methyl]Thio]-6-(1H-Pyrrol-1-yl)-; 2-[[(4-Methoxy-3-Methyl-2-Pyridinyl)Methyl]Sulfanyl]5-(1H-Pyrrol-1-yl) 1H Benzimidazole; Desoxy Ilaprazole; 2-(((4-Methoxy-3-Methylpyridin-2-yl)Methyl)Thio)-6-(1H-Pyrrol-1-yl)-1H-Benzo[d]Imidazole
CAS编号172152-35-1
MFCD编号:MFCD30609528
FDA UNII编号:352TU5SA7B
分子式:C19H18N4OS
分子量:350.44
产品CID: 882086
产品分类医药中间体 → 原料药中间体

相似结构搜索
InChIKey: TZNQIYXOVOTIKQ-UHFFFAOYSA-N
InChI=1S/C19H18N4OS/c1-13-17(20-8-7-18(13)24-2)12-25-19-21-15-6-5-14(11-16(15)22-19)23-9-3-4-10-23/h3-11H,12H2,1-2H3,(H,21,22)…
计算化学: 氢键受体数4.0氢键供体数1.0可旋转键数5.0

物理性质

沸点590.4±60.0 °C(预测)
密度1.30±0.1 g/cm3(预测)
pKa:9.26±0.10(预测)
LogP:3.5
储存条件 Sealed in dry, 2-8°C
产品应用该化合物用于治疗痢疾,肺溃疡疾病,胃-眼复发疾病(GORD/GERD)和二元溃疡.

MSDS等安全信息

警示词Warning
危险描述H302-H315-H319-
防范说明P264-P270-P280-P301+P312+P330-P302+P352-P305+P351+P338-P332+P313-P337+P313-P362+P364-

上下游产品

5-Amino-2-[(4-Methoxy-3-Methyl-2-Pyridyl)-Methylthio]-1-Hydro-Benzimidazole 910664-00-5

合成工艺路线路线简述

合成目标产物 2-[[(4-Methoxy-3-Methyl-2-Pyridinyl)Methyl]Thio]-6-(1H-Pyrrol-1-yl)-1H-Benzimidazole 主要起始原料 5-(1H-Pyrrol-1-yl)-1H-Benzo[d]Imidazole-2-Thiol And 2-(Chloromethyl)-4-Methoxy-3-Methylpyridine Hydrochloride
(文献来源)合成步骤主要原料 5-(1H-Pyrrol-1-yl)-1H-Benzo[d]Imidazole-2-Thiol 和 2-(Chloromethyl)-4-Methoxy-3-Methylpyridine Hydrochloride

5-Nitro-2-[(4-Methoxy-3-Methyl-2-Pyridyl)Methylmercapto]-1H-Benzimidazole置于盐酸,溶剂黄146,Tin(Ll) Chloride体系中,用四氢呋喃,甲醇,水用作溶剂,化学反应 4.5H,反应生成2-[[(4-甲氧基-3-甲基-2-吡啶基)甲基]硫基]-6-(1H-吡咯-1-基)-1H-苯并咪唑
参考文献:Cn116891458
标题:Cn116891458

海关参考信息

2902200000-苯
2905110000-甲醇
2933310010-吡啶
2909199090-其他醚及其衍生物
💡 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-9631181-B2
优先权日:2009-12-08
标题 :Synthesis of prazole compounds
发明人：BONG YONG KOY; CLAY MICHAEL D; COLLIER STEVEN J; MIJTS BENJAMIN; VOGEL MICHAEL; ZHANG XIYUN; ZHU JUN; NAZOR JOVANA; SMITH DEREK J; SONG SHIWEI
权利人:CODEXIS INC
摘要:The present disclosure relates to non-naturally occurring monooxygenase polypeptides useful for preparing prazole compounds, polynucleotides encoding the polypeptides, and methods of using the polypeptides.

专利号:US-2016319252-A1
优先权日:2009-12-08
标题 :Synthesis of prazole compounds

专利号:US-2015056668-A1
优先权日:2009-12-08
标题:Synthesis of prazole compounds

专利号:US-9228216-B2
优先权日:2009-12-08
标题 :Synthesis of prazole compounds

专利号:EP-1861391-A4
优先权日:2005-03-25
标题:SUBSTITUTED SULFOXIDE DERIVATIVES, SYNTHESIS METHODS THEREOF, AND APPLICATIONS OF SAID DERIVATIVES