CAS: 188975-88-4; Tert-Butyl 4-Oxoazepane-1-Carboxylate

该化合物是其双环结构的化合物,包括饱和的环."N-BOC"组表示它是受保护的地雷,通常在有机合成中用于在化学反应中暂时掩蔽地雷的功能.该化合物一般是白色到白色的固体,溶于二氯甲烷和甲醇等有机溶剂,但水溶性有限.其分子结构有助于其在医药化学中的潜在应用,特别是在合成药物和生物活性化合物方面的潜在应用.六氢结构的存在表明,它可能具有有趣的立体化学特性,会影响其活性和与生物目标的相互作用.与许多化学物质一样,处理应谨慎进行,并遵循适当的安全议定书,以减少与使用该物质有关的任何风险.

英文名称Tert-Butyl 4-Oxoazepane-1-Carboxylate
中文名称N-Boc-六氢-1H-氮杂卓-4-酮
IUPAC名称tert-butyl 4-oxoazepane-1-carboxylate
其它别名N-Boc-4-氮杂卓酮; Nboc六氢1H氮杂卓4酮
CAS编号188975-88-4
MFCD编号:MFCD03788435
EINECS号:629-011-4
分子式:C11H19NO3
分子量:213.27
产品CID: 957976
产品分类有机原料→分子砌块→脂肪杂环类化合物→其它脂肪杂环类化合物

相似结构搜索
InChIKey: PMLBUVZPRKXMOX-UHFFFAOYSA-N
InChI=1S/C11H19NO3/c1-11(2,3)15-10(14)12-7-4-5-9(13)6-8-12/h4-8H2,1-3H3…
计算化学: 氢键受体数3.0氢键供体数H_Donors：可旋转键数Rotatable_Bonds：

相似化合物

50492-22-3 19869-42-2 83621-33-4

物理性质

熔点37 °C
沸点333.3°C at 760 mmHg
闪点140.2±25.9°C
密度1.1±0.1 g/cm3
pKa:-1.50±0.20(预测)
PSA:46.61
LogP:1.9765
折射率1.477
蒸汽压0.0±0.7 mmHg at 25°C
溶解性Soluble In Chloroform, Dichloromethane, Ethanol And Ethyl Ether.
敏感性空气敏感
外观形态无色至黄色液体或低熔点固体
储存条件2-8°C
产品应用该化合物是合成氨基甲胺和镁酒精化合物等药物的一个关键组成部分;在涂料中,它可以在不损及性能的情况下取代环氧聚酰胺涂层中的大量二苯并大大减少有害物质和臭氧形成的排放.

MSDS等安全信息

GHS象形图
GHS符号GHS07;
注释: Exclamation mark
危险类别急性毒性类别4(经口)
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
急性毒性类别4(吸入)
急性毒性类别4(经皮)
严重眼刺激类别2A
警示词Warning(警告)
危险描述H302 |吞咽有害.
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.
H332 |吸入有害.
H312 |皮肤接触有害.
防范说明P261-P264-P270-P271-P280-P302+P352-P304+P340-P330-P362+P364-P405-P501
危险等级IRRITANT
危险品标志Xi,Xn
安全声明26-36/37/39
危险类别码36/37/38-22
WGK Germany3

欧盟法规

ECHA物质C&L通报

上下游产品

合成工艺路线路线简述

六氢-1H-氮杂卓-4-醇置于三氧化硫吡啶,三乙胺体系中,用二氯甲烷,二甲基亚砜用作溶剂,化学反应 22.5H,反应生成4-氧代氮杂环庚烷-1-羧酸叔丁酯
参考文献:Ep1500643
标题:Ep1500643

海关参考信息

2905122000-异丙醇
2905143000-叔丁醇
2912110000-甲醛
2912120000-乙醛
💡 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-2024400552-A1
优先权日:2016-11-11
标题 :Heterocyclic modulators of lipid synthesis
发明人：BUCKLEY DOUGLAS I; DUKE GREGORY; WAGMAN ALLAN S; EVANCHIK MARC; MCDOWELL ROBERT S
权利人:SAGIMET BIOSCIENCES INC
摘要:Compounds that are fatty acid synthesis modulators are provided. The compounds may be used to treat disorders characterized by dysregulation of the fatty acid synthase function by modulating the function and/or the fatty acid synthase pathway. Methods are provided for treating such disorders including viral infections, such as hepatitis C infection, cancer and metabolic disorders, such as non-alcoholic steatohepatitis (NASH).

专利号:US-11622968-B2
优先权日:2011-03-08
标题:Heterocyclic modulators of lipid synthesis
发明人：BUCKLEY DOUGLAS; DUKE GREGORY; WAGMAN ALLAN S; EVANCHIK MARC; MCDOWELL ROBERT S
权利人:SAGIMET BIOSCIENCES INC
摘要:Compounds that are fatty acid synthesis modulators are provided. The compounds may be used to treat disorders characterized by disregulation of the fatty acid synthase function by modulating the function and/or the fatty acid synthase pathway. Methods are provided for treating such disorders including viral infections, such as hepatitis C infection, cancer and metabolic disorders, such as non-alcoholic steatohepatitis (NASH).

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-11034690-B2
优先权日:2016-11-11
标题:Heterocyclic modulators of lipid synthesis
发明人：BUCKLEY DOUGLAS I; DUKE GREGORY; WAGMAN ALLAN S; EVANCHIK MARC; MCDOWELL ROBERT S
权利人:SAGIMET BIOSCIENCES INC; SAGINIET BIOSCIENCES INC
摘要:Compounds that are fatty acid synthesis modulators are provided. The compounds may be used to treat disorders characterized by disregulation of the fatty acid synthase function by modulating the function and/or the fatty acid synthase pathway. Methods are provided for treating such disorders including viral infections, such as hepatitis C infection, cancer and metabolic disorders, such as non-alcoholic steatohepatitis (NASH).

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-9809591-B2
优先权日:2011-03-08
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
权利人:3-V BIOSCIENCES INC
摘要:Compounds that are fatty acid synthesis modulators are provided. The compounds may be used to treat disorders characterized by disregulation of the fatty acid synthase function by modulating the function and/or the fatty acid synthase pathway. Methods are provided for treating such disorders including viral infections, such as hepatitis C infection, cancer and metabolic disorders.