CAS: 73101-64-1; 1,2-Benzisoxazole-3-Methanesulfonate Sodium Salt

该化合物是一种化学化合物,具有苯氧环系统,这是一种双环结构,含有苯和异氧新诺明酸,其典型特征是其钠盐形式,它提高了水溶液中的溶性,使其在各种应用中有用,包括作为有机合成和生物研究的试剂;甲烷硫酸盐组有助于其极地性质,促进生物系统中的互动;1,2-苯氧新诺明-3-甲烷硫酸盐因其潜在的生物活动,常常用于研究环境,特别是医药化学和药理领域;其特性可能包括标准条件下的中度稳定性,但应当小心处理,如所有化学物质一样,以避免任何不良反应;适当的储存和处理程序对于保持其应用的完整性和有效性至关重要.

英文名称1,2-Benzisoxazole-3-Methanesulfonate Sodium Salt
中文名称1,2-苯并异唑-3-甲磺酸钠盐
IUPAC名称sodium benzo[d]isoxazol-3-ylmethanesulfonate
其它别名1,2-Benzisoxazole-3-Methanesulfonic Acid Sodium Salt; 1.2-Benzisoxazole-3-Methanesulfonic Acid Sodium; 1,2-Benzisoxazole-3-Methanesulfonicacidsodiumsalt(Forzonisamide); Zonisanideintermediate,1,2-Benzisoxazole-3-Methanesulfonicacidsodiumsalt; Forzonisamide; 1,2-Benzisoxazole-3-Methane Sodium Sulphonate; Sodium 2-(1,2-Benzisoxazol-3-yl)Methanesulfonate; (1,2-Benzisoxazol-3-yl)Methanesulfonic Acid Sodium Salt
CAS编号73101-64-1
MFCD编号:MFCD07782146
EINECS号:615-908-8
FDA UNII编号:61MWM0KQ3O
分子式:C8H6NNaO4S
分子量:235.19
产品CID: 1717358
产品分类化学试剂 → 有机试剂 → 磺酸盐/亚磺酸盐

相似结构搜索
InChIKey: QILCHBOPDIODSB-UHFFFAOYSA-M
InChI=1S/C8H7NO4S.Na/c10-14(11,12)5-7-6-3-1-2-4-8(6)13-9-7;/h1-4H,5H2,(H,10,11,12);/q;+1/p-1…
计算化学: 氢键受体数5.0氢键供体数1.0可旋转键数2.0

MSDS等安全信息

GHS象形图
GHS符号GHS08 & GHS07;
注释: Health hazard & Exclamation mark
危险类别致突变性类别2
急性毒性类别4(经口)
警示词Warning(警告)
危险描述H341 |怀疑导致遗传缺陷.
H302 |吞咽有害.
防范说明P264-P270-P301+P312-P330-P501-P201-P202-P281-P308+P313-P405-P501
UN编号NONH for all modes of transport
危险品标志Xi
WGK Germany3

欧盟法规

REACH注册REACH预注册

上下游产品

合成工艺路线路线简述

合成目标产物 1,2-Benzisoxazole-3-Methanesulfonic Acid Sodium Salt 主要起始原料 (4E)-N-Hydroxy-1,2-Benzoxathiin-4(3H)-Imine 2,2-Dioxide
(文献来源)合成步骤主要原料 (4E)-N-Hydroxy-1,2-Benzoxathiin-4(3H)-Imine 2,2-Dioxide

4-Oximino-3,4-Dihydro-1,2-Benzoxathiin-4-One-2,2-Dioxide 反应生成 1,2-苯并异唑-3-甲磺酸钠盐
参考文献: Improved Process For The Preparation Of Intermediates Useful For The Preparation Of Zonisamide[fr] Procede Ameliore De Fabrication D'Intermediaires Utilises Pour L'Obtention De Zonisamide
标题: Improved Process For The Preparation Of Intermediates Useful For The Preparation Of Zonisamide[fr] Procede Ameliore De Fabrication D'Intermediaires Utilises Pour L'Obtention De Zonisamide
摘要:本发明涉及一种改进的制备1,2-苯并异噁唑-3-甲烷磺酸盐和一种新型化合物4-羟肟基-2,3-二氢苯并噻吩-2,2-二氧化物的过程.通过本发明的方法制备的1,2-苯并异噁唑-2-甲烷磺酸盐和4-羟肟基-2,3-二氢苯并噻吩-2,2-二氧化物分别具有通式(2)和(3).式(2)和(3)的化合物是制备抗癫痫药扎尼酰胺的重要中间体.式(2)的化合物是由迄今未知的化合物4-羟肟基-2,3-二氢苯并噻吩-2,2-二氧化物(式(3))使用适当的溶剂和强碱制备而成.式(3)的新型化合物是通过分子内环合成反应制备的,其反应方式是将式(4)的化合物进行环合成反应得到式(5)的化合物,然后与盐酸羟肟酸反应得到新型中间体的化合物(3).在上述式中,R1至r4可能相同或不同,并且代表氢,烷基(碳数为2-5),氯,溴,S-烷基,O-烷基,No2,N-Me2,Cf3,X代表na或k.

海关参考信息

2902200000-苯
💡 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-7745471-B2
优先权日:2004-06-18
标题:Derivatives of 1,2-benzisoxazole-3-methane sulfonic acid as novel intermediates for the synthesis of zonisamide
发明人：NADDAKA VLADIMIR; KLOPFER EYAL; SAEED SHADY; ARAD ODED; KASPI JOSEPH
权利人:CHEMAGIS LTD
摘要:Derivatives of 1,2-benzisoxazole-3-methanesulfonic acid, which are non-hygroscopic and non-hydrated and their use as intermediates from the preparation of zonisamide are disclosed. Further disclosed are processes of preparing zonisamide from these 1,2-benzisoxazole-3-methanesulfonic acid derivatives, processes of preparing exemplary 1,2-benzisoxazole-3-methanesulfonic acid derivatives and crystalline forms of exemplary 2-benzisoxazole-3-methanesulfonic acid derivatives. A novel process of preparing zonisamide is also disclosed.

专利号:US-2006009644-A1
优先权日:2004-06-18
标题:Novel crystalline forms of sodium 1,2-benzisoxazole-3-methanesulfonate, processes of preparing same and use thereof in the synthesis of zonisamide
发明人：NADDAKA VLADIMIR; ADIN ITAI; KLOPFER EYAL; ARAD ODED; KASPI JOSEPH
权利人:NADDAKA VLADIMIR; ADIN ITAI; KLOPFER EYAL; ARAD ODED; KASPI JOSEPH
摘要:Disclosed is a process of preparing 1,2-benzisoxazole-3-methanesulfonamide (zonisamide). Also disclosed is a method of dehydrating sodium 1,2-benzisoxazole-3-methanesulfonate, a compound useful in the preparation of 1,2-bisoxazole-3-methanesulfonamide (zonisamide) as well as new crystalline forms of sodium 1,2-benzisoxazole-3-methanesulfonate.

专利号:US-2006014814-A1
优先权日:2004-06-18
标题:Derivatives of 1,2-benzisoxazole-3-methane sulfonic acid as novel intermediates for the synthesis of zonisamide

专利号:US-7015330-B2
优先权日:2001-08-30
标题:Sulfonation method for zonisamide intermediate in zonisamide synthesis and their novel crystal forms
发明人：NIDAM TAMAR; MENDELOVICI MARIOARA; SCHWARTZ EDUARD; WIZEL SHLOMIT
权利人:TEVA PHARMA
摘要:The present invention relates to a novel sulfonation of an intermediate of zonisamide. The sulfonation processes using chlorosulfonic acid as well as acetic anhydride and sulfuric acid in an organic solvent are disclosed. Crystalline forms of benzisoxazole methane sulfonic acid (BOSâ€”H) and its salts (BOSâ€”Na, BOSâ€”Ca, and BOSâ€”Ba) and their novel preparation processes are disclosed.

专利号:US-6841683-B2
优先权日:2001-08-30
标题:Sulfonation method for zonisamide intermediate in zonisamide synthesis and their novel crystal forms
发明人：MENDELOVICI MARIOARA; NIDAM TAMAR; SCHWARTZ EDUARD; WIZEL SHLOMIT
权利人:TEVA PHARMA
摘要:The present invention relates to a novel sulfonation of an intermediate of zonisamide. The sulfonation processes using chlorosulfonic acid as well as acetic anhydride and sulfuric acid in an organic solvent are disclosed. Crystalline forms of benzisoxazole methane sulfonic acid (BOS-H) and its salts (BOS-Na, BOS-Ca, and BOS-Ba) and their novel preparation processes are disclosed.

专利号:CN-106810507-A
优先权日:2017-01-23
标题 :Environment-friendly synthesis method of zonisamide