CAS: 38275-42-2; 5-Chloro-2-(Methylthio)Pyrimidine

该化合物是一种多用途的七环环化合物,其特点是五方基和二方基的氯组替代了一种火水晶核心,而二方基则替代了一种甲基硫基,这种结构赋予了适合进一步功能化的再活动性,使其成为制药和农用化学合成中宝贵的中间体.该组可产生核生殖替代反应,而甲基硫基混合物可参与氧化或迁移反应.在标准条件下保持稳定,而且与各种反应条件相容,可提高其在多步骤合成途径中的效用.该化合物对于培养生物活性分子,包括潜在的药物候选分子和特殊化学品,特别有用.

英文名称5-Chloro-2-(Methylthio)Pyrimidine
中文名称5-氯-2-(甲硫基)嘧啶
IUPAC名称5-chloro-2-(methylthio)pyrimidine
其它别名5-氯-2-(甲硫基)嘧啶; 2-甲基磺酰基-5-氯嘧啶; 5-Chloro-2-Methylsulfanyl-Pyrimidine
CAS编号38275-42-2
MFCD编号:MFCD00489773
EINECS号:623-612-5
分子式:C5H5ClN2S
分子量:160.62
产品CID: 1394146
产品分类有机原料→分子砌块→芳杂环类化合物→嘧啶类化合物

相似结构搜索
InChIKey: YYQOYLZOMFNKKG-UHFFFAOYSA-N
InChI=1S/C5H5ClN2S/c1-9-5-7-2-4(6)3-8-5/h2-3H,1H3…
计算化学: 氢键受体数3.0氢键供体数0.0可旋转键数1.0

相似化合物

99469-85-9 6090-37-5 14001-67-3

MSDS等安全信息

GHS象形图
GHS符号GHS05;
注释: Corrosion
危险类别皮肤腐蚀类别1B
警示词Danger(危险)
危险描述H314 |造成严重皮肤灼伤和眼损伤.
防范说明P260-P264-P280-P301+P330+P331-P304+P340-P363-P405-P501
危险等级8
UN编号1759.0
危险品标志C
包装等级Ⅱ
安全声明26-36/37/39-45
危险类别码34
WGK Germany3

欧盟法规

ECHA物质C&L通报

上下游产品

CAS号61727-33-1 2-甲硫基-5-氯嘧啶-4-甲酸 | CAS号587834-56-8 5-chloro-2-meth... | CAS号587834-60-4 5-chloro-4-(3-m... | CAS号79686-02-5 5-氯-2-(甲基硫代)嘧啶-4-羰酰氯

合成工艺路线路线简述

合成目标产物 2-Methylsulfanyl-5-Chloropyrimidine 主要起始原料 5-Chloro-2-(Methylthio)Pyrimidine-4-Carboxylic Acid
(文献来源)合成步骤主要原料 5-Chloro-2-(Methylthio)Pyrimidine-4-Carboxylic Acid

5-氯-2-(甲硫基)嘧啶-4-羧酸置于四(三苯基膦)钯,氯化亚砜,三乙胺体系中,用二氯甲烷,甲苯作为反应溶剂,化学反应 5.8H,反应生成 5-氯-2-(甲硫基)嘧啶
参考文献:合成4-烷基-,4-烯基-和4-酰基嘧啶的脱羧
标题:合成4-烷基-,4-烯基-和4-酰基嘧啶的脱羧
摘要:在pd(0)催化剂存在下,在111oc下于甲苯中将4-羧基嘧啶的烯丙基酯脱羧,得到4-烯基嘧啶和在4-位未被取代的嘧啶的混合物.如果脱羧是在苯甲醛的存在下进行的,则将苯甲醛加到4-位上.在不同亲电试剂存在下4-羧基嘧啶的脱羧,导致亲电试剂与4-位未取代的嘧啶一起掺入4-位.微波辐射的使用提高了脱羧的速率.
DOI:10.1002/jhet.5570400204

海关参考信息

2930909099-其他有机硫化合物
💡 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-2023068064-A1
优先权日:2019-12-02
标题 :Process for synthesis of a 2-thioalkyl pyrimidine
发明人：HONG JUNBAE
权利人:FMC CORP
摘要:A method for preparing a compound of Formula 1 and compounds therefrom, comprising treating a compound of Formula 2 with a compound of Formula 3 and reacting the resulting intermediate of Formula 4 with a compound of Formula 5 (or a salt thereof). The compound of Formula 1, prepared by the above method, can be used to prepare a compound of Formula 8 wherein R2, R3, R4, m and r are as defined in the specification.

专利号:US-12291525-B2
优先权日:2019-12-02
标题:Process for synthesis of a 2-(5-isoxazolyl)-phenol
发明人：HONG JUNBAE; BRUENING JOERG
权利人:FMC CORP
摘要:A method for preparing a compound of Formula (1) and compounds therefrom, comprising treating a compound of Formula (2) to provide a compound of Formula (5) and treating the compound of Formula (5) with a hydroxylamine salt wherein R1, R2 and m are as defined in the specification. The compound of Formula (1), prepared by the above method, can be used to prepare a compound of Formula (8) wherein R1, R2, R3 and m are as defined in the specification.

专利号:US-2023061554-A1
优先权日:2019-12-02
标题:Process for synthesis of a 2-(5-isoxazolyl)-phenol

专利号:AU-2020398861-A1
优先权日:2019-12-02
标题 :Process for synthesis of a 2-(5-isoxazolyl)-phenol

专利号:AU-2020395117-A1
优先权日:2019-12-02
标题:Process for synthesis of a 2-thioalkyl pyrimidine

专利号:EP-4069680-A1
优先权日:2019-12-02
标题 :Process for synthesis of a 2-(5-isoxazolyl)-phenol