CAS: 174227-14-6; 4-(Tert-Butyl)-N-(6-Hydroxy-5-(2-Methoxyphenoxy)-[2,2'-Bipyrimidin]-4-yl)Benzenesulfonamide

英文名称4-(Tert-Butyl)-N-(6-Hydroxy-5-(2-Methoxyphenoxy)-[2,2'-Bipyrimidin]-4-yl)Benzenesulfonamide
中文名称博沙坦杂质D
IUPAC名称4-(tert-butyl)-N-(6-hydroxy-5-(2-methoxyphenoxy)-[2,2'-bipyrimidin]-4-yl)benzenesulfonamide
其它别名Benzenesulfonamide, N-[1,6-Dihydro-5-(2-Methoxyphenoxy)-6-Oxo[2,2'-Bipyrimidin]-4-Yl]-4-(1,1-Dimethylethyl)-; Bosentan Usp Related Compound B; P-Tert-Butyl-N-[6-(Hydroxy)-5-(2-Methoxyphenoxy)[2,2'-Bipyrimidin]-4-Yl]Benzene Sulfonamide; Bosentan Usp Rc B; Bosentan Impurity D; Bosentan Related Compound B; N-[1,6-Dihydro-5-(2-Methoxyphenoxy)-6-Oxo[2,2'-Bipyrimidin]-4-Yl]-4-(1,1-Dimethylethyl)Benzenesulfonamide; Bosentan Related Compound B (15 Mg) (4-(Tert-Butyl)-N-[6-Hydroxy-5-(2-Methoxyphenoxy)-(2,2'-Bipyrimidin)-4-Yl]Benzenesulfonamide)
CAS编号174227-14-6
MFCD编号:MFCD25977341
EINECS号:687-551-6
FDA UNII编号:9B7A5GJ8V8
分子式:C25H25N5O5S分子量:507.57
产品CID: 889808
产品分类分析化学 → 标准品 → 药典标准品和杂质标准品

相似结构搜索
InChIKey: REEANFGHAAWSIZ-UHFFFAOYSA-N
InChI=1S/C25H25N5O5S/c1-25(2,3)16-10-12-17(13-11-16)36(32,33)30-21-20(35-19-9-6-5-8-18(19)34-4)24(31)29-23(28-21)22-26-14-7-15-27-22/h5-15H,1-4H3,(H2,28,29,30,31)
计算化学: 氢键受体数9.0氢键供体数2.0可旋转键数8.0

物理性质

熔点>218°C (分解)
沸点690.0±65.0 °C(预测)
密度1.34±0.1 g/cm3(预测)
pKa:4.48±0.50(预测)
PSA:144.8
LogP:5.6922
溶解性DMSO (Slightly), Chloroform (Slightly), Methanol (Slightly)
外观形态浅米色至浅米色固体
储存条件冰箱
产品应用该化合物用于血管呼吸器和抗血压.

MSDS等安全信息

GHS象形图
GHS符号GHS07;
注释: Exclamation mark
危险类别特定目标器官毒性 - 单次接触类别3
皮肤腐蚀/刺激类别2
严重眼刺激类别2
警示词Warning(警告)
危险描述H335 |可能引起呼吸道刺激.
H315 |造成皮肤刺激.
H319 |造成严重眼刺激.
防范说明P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P
UN编号NONH for all modes of transport
WGK Germany3

欧盟法规

C&L通报

上下游产品

ethylene glycol 4-tert-butyl-N-(6-chloro-5-(2-methoxyphenoxy)2,2'-bipyrimidin-4-yl)benzene sulfonamide bosentan sodium 2-hydroxyethoxidebosentan 4-tert-butyl-N-(6-(cyanomethoxy)-5-(2-methoxyphenoxy)-2,2'-bipyrimidin-4-yl) benzenesulfonamide methyl 2-(6-(4-tert-butylphenylsulfonamido)-5-(2-methoxyphenoxy)-2,2'-bipyrimidin-4-yloxy)acetate 4-tert-butyl-N-(5-(2-methoxyphenoxy)-6-(2-oxoethoxy)-2,2′-bipyrimidin-4-yl)benzenesulfonamide

合成工艺路线路线简述

合成目标产物 Benzenesulfonamide, N-[1,6-Dihydro-5-(2-Methoxyphenoxy)-6-Oxo[2,2'-Bipyrimidin]-4-Yl]-4-(1,1-Dimethylethyl)- 主要起始原料 4-Tert-Butyl-N-(6-Chloro-5-(2-Methoxyphenoxy)-2,2'-Bipyrimidin-4-yl)Benzenesulfonamide
(文献来源)合成步骤主要原料 4-Tert-Butyl-N-(6-Chloro-5-(2-Methoxyphenoxy)-2,2'-Bipyrimidin-4-yl)Benzenesulfonamide

📜波生坦置于potassium Hydroxide,盐酸,水体系中,用二苯醚用作溶剂,化学反应生成博沙坦杂质d
参考文献: Processes For The Preparation Of Bosentan And Related Compounds[fr] Procédés De Préparation De Bosentan Et De Composés Apparentés à L'Aide De Nouveaux Intermédiaires
标题: Processes For The Preparation Of Bosentan And Related Compounds[fr] Procédés De Préparation De Bosentan Et De Composés Apparentés à L'Aide De Nouveaux Intermédiaires

海关参考信息

2902600000-乙苯
2902700000-异丙基苯
2905110000-甲醇
2907210001-间苯二酚
💡 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-2010256371-A1
优先权日:2009-04-02
标题:Processes for the preparation of bosentan and its intermediates thereof
发明人：YADAV ROOP SINGH; KHAN MUBEEN AHMED; LAD SACHIN MAHADEO; TRIVEDI NIKHIL RASIKLAL; ARJUNAN SANKAR; PITALE GAJENDRA LAXMAN
权利人:GLENMARK
摘要:The present invention relates to processes for the preparation of bosentan and compounds that can be used as structurally novel intermediates for the synthesis thereof, and a pharmaceutical composition of the same.

其他信息查阅

供应商参考报价(招募中)

品牌试剂参考报价(招募中)

实用工具

📌 第三方产品分析报告

✅ COA系统入驻 | 共享模式

主要参考文献

参考标题:Improved Large-Scale Synthesis Of Bosentan Monohydrate
作者:K. Rajasekhara Raju,B. Shankar Reddy,Y. S. Somannavar,B. K. Sinha,P. N. Kishore Babu,K. Mohana Raju |发布日期:2016.11
摘要:K. Rajasekhara Raju, B. Shankar Reddy, Y. S. Somannavar, B. K. Sinha, P. N. Kishore Babu, And K. Mohana Raju Chemical Research And Development, Aurobindo Pharma Ltd, Survey No.71 And 72, Indrakaran (V), Sangareddy (M), Medal District 502329, Telangana, India Synthetic Polymer Laboratory, Department Of Polymer Science And Technology, Sri Krishnadevaraya University, Anantapur 515055, Andhra Pradesh,

合成参考文献

参考文献:10.1055/s-0033-1340281
摘要:Jayaprakash Rao Y, Pradeep R, Kumari Bharathi Y, Subbanarsimulu P, Venkat Reddy G, Kondal Reddy B. An Alternate Synthesis of Bosentan Monohydrate, an Endothelin Receptor Antagonist. Synlett. 2013 Dec 02;25(02):265–9. doi: 10.1055/s-0033-1340281.