CAS: 42860-04-8; 4-Chloro-3-Iodobenzoic Acid

该化合物是一种芳香的碳酸,其特点是苯环上含有氯和碘替代物,具体地说,氯原子位于与碳苯酸组相对的副位置(4个位置),碘原子位于与碳苯酸组相对的元位置(3个位置),该化合物一般是白色到白色的固体,在水中溶解,但更易溶于乙醇和丙酮等有机溶剂,分子结构有助于其再活动,使其在各种化学合成物中有用,特别是在制药和农用化学物的开发中.卤素的存在会影响化合物的电子特性,影响其酸性和在替代电药用反应中的再活性.此外,4-Crololoo-3-iodobenzoic酸可能展示生物活动,可在医药化学环境中加以探讨.在处理这一化合物时,应采取安全防范措施,因为如果是吸入或吸入,可能会对健康造成危害.

英文名称4-Chloro-3-Iodobenzoic Acid
中文名称4-氯-3-碘苯甲酸
IUPAC名称4-chloro-3-iodobenzoic acid
其它别名4-氯-3-碘硝基苯; 3-Iodo-4-Chlorobenzoic Acid
CAS编号42860-04-8
MFCD编号:MFCD00079732
EINECS号:675-669-0
分子式:C7H4ClIO2分子量:282.46
产品CID: 1440696
产品分类有机原料→分子砌块→芳环类化合物→苯类化合物

相似结构搜索
产品信息参考;
InChIKey: SDRURVZKYHGDAP-UHFFFAOYSA-N
InChI=1S/C7H4ClIO2/c8-5-2-1-4(7(10)11)3-6(5)9/h1-3H,(H,10,11)
计算化学: 氢键受体数1.0氢键供体数1.0可旋转键数1.0

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
严重眼刺激类别2A
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P261-P264-P270-P271-P280-P302+P352-P304+P340-P305+P351+P338-P330-P362+P364-P403+P233-P405-P501
危险品标志T
安全声明26-36/37/39-45-39-24/25
危险类别码36/37/38-41-25

欧盟法规

C&L通报

上下游产品

合成工艺路线路线简述

合成目标产物 4-Chloro-3-Iodobenzoic Acid 主要起始原料 4-Chloro-3-Nitrobenzaldehyde
(文献来源)合成步骤主要原料 4-Chloro-3-Nitrobenzaldehyde

📜对氯苯甲酸置于sodium Periodate,硫酸,Potassium Iodide体系中,化学反应 1.0H,以84%的收率获得产物4-氯-3-碘苯甲酸
参考文献:I2/naio4 和 Ki/naio4 碘化体系对浓硫酸中失活芳烃的氧化碘化
标题:I2/naio4 和 Ki/naio4 碘化体系对浓硫酸中失活芳烃的氧化碘化
摘要:用强亲电 I + 试剂对失活的芳烃进行单碘化或二碘化,这些试剂由 Naio 4 和 I 2 或 Ki 在浓 H 2 So 4 中制备(至少 95% 重量).通常使用稍微过量的深棕色碘化溶液(1.1/1.5 当量,对于硝基苯需要两个当量).碘化在 25-30 oc 下进行,反应时间为 1-2 小时,使用芳香族碘化的"直接"或"反向"方法以 31-91% 的优化产率得到单碘化或二碘化纯产物.
DOI:10.1055/s-2006-926374

海关参考信息

2903919090-氯苯
2905110000-甲醇
2906210000-苄醇
2912110000-甲醛
💡 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-2009076268-A1
优先权日:2007-09-14
标题:Facile assembly of fused benzofuro-heterocycles
发明人：FITZGERALD ANNE E; LIU JING; MANI NEELAKANDHA S
权利人:FITZGERALD ANNE E; LIU JING; MANI NEELAKANDHA S
摘要:This invention concerns the synthesis of polycyclic structural components of pharmacological compounds, including the synthesis of fused benzofuro-heterocycles, through selective palladium-catalyzed cross-coupling and intramolecular cyclization.

专利号:US-10226449-B2
优先权日:2013-12-20
标题:Heterocyclic modulators of lipid synthesis and combinations thereof
发明人：HEUER TIMOTHY SEAN; OSLOB JOHAN D; MCDOWELL ROBERT S; JOHNSON RUSSELL; YANG HANBIAO; EVANCHIK MARC; ZAHARIA CRISTIANA A; CAI HAIYING; HU LILY W; DUKE GREGORY; OHOL-GUPTA YAMINI; O'FARRELL MARIE
权利人:3 V BIOSCIENCES INC
摘要:Heterocyclic modulators of lipid synthesis are provided as well as pharmaceutically acceptable salts thereof; pharmaceutical compositions comprising such compounds; and methods of treating conditions characterized by dysregulation of a fatty acid synthase pathway by the administration of such compounds and combinations of such compounds and other therapeutic agents.

专利号:US-9428502-B2
优先权日:2012-07-03
标题:Heterocyclic modulators of lipid synthesis
发明人：OSLOB JOHAN D; MCDOWELL ROBERT S; JOHNSON RUSSELL; YANG HANBIAO; EVANCHIK MARC; ZAHARIA CRISTIANA A; CAI HAIYING; HU LILY W; WAGMAN ALLAN S
权利人:3-V BIOSCIENCES INC
摘要:Heterocyclic modulators of lipid synthesis are provided as well as pharmaceutically acceptable salts thereof; pharmaceutical compositions comprising such compounds; and methods of treating conditions characterized by disregulation of a fatty acid synthase pathway by the administration of such compounds.

专利号:US-2018222892-A1
优先权日:2012-07-03
标题 :Heterocyclic modulators of lipid synthesis

专利号:EP-3083583-B1
优先权日:2013-12-20
标题:Heterocyclic modulators of lipid synthesis and combinations thereof

专利号:CA-2934251-A1
优先权日:2013-12-20
标题:A combination of heterocyclic modulators of lipid synthesis and chemotherapeutic drugs in treatment of cancer