CAS: 17556-18-2; 6-Chloro-3,4-Dihydronaphthalen-2(1H)-One

该化合物是一种有机化合物,其特征是其双环结构,包括一个环球框架,具有一个氯酮功能组和一个氯替代体,该化合物的特征是六点的氯组和四点体结构的二点的碳基组,典型的是一种在室温中的固体,以其在有机合成和药用化学中的潜在应用而著称.氯原子的存在可影响其回作用和溶解性,使它成为各种制药和农用化学合成的有用中间体.此外,6-Chrololoo-2-troontroon可能具有特定的物理特性,例如熔点和沸点,这些物质受到分子结构和分子间相互作用的影响.与许多有机化合物一样,必须谨慎地处理,同时考虑安全协议,因为其潜在的毒性和再活性.

英文名称6-Chloro-3,4-Dihydronaphthalen-2(1H)-One
中文名称6-氯-3,4-二氢-2(1H)-萘酮
IUPAC名称6-chloro-3,4-dihydronaphthalen-2(1H)-one
其它别名6-氯-2-萘满酮; 6-Chlorotetralin-2-One
CAS编号17556-18-2
MFCD编号:MFCD03788443
EINECS号:624-531-8
分子式:C10H9ClO
分子量:180.63
产品CID: 896496
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
InChIKey: QQSYTUUAEZUAKL-UHFFFAOYSA-N
InChI=1S/C10H9ClO/c11-9-3-1-8-6-10(12)4-2-7(8)5-9/h1,3,5H,2,4,6H2…
计算化学: 氢键受体数1.0氢键供体数0.0可旋转键数0.0

物理性质

熔点60-65 °C
沸点115 °C at 0.01 mmHg
闪点145.2°C
密度1.248±0.06 g/cm3(预测)
PSA:17.07
LogP:2.3978
折射率1.578
储存条件-20°C, protect from light, stored under nitrogen
产品应用该化合物是一个重要的药品中间体,因为它具有化学反应性,因为存在卤素和碳基功能组,使得它能够随时进行各种化学反应,例如替代反应和核生殖反应.

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)
皮肤致敏类别1
警示词Warning(警告)
危险描述H302 |吞咽有害.
H317 |可能引起皮肤过敏反应.
防范说明P261-P264-P270-P272-P280-P302+P352-P330-P363-P501
危险品标志Xn
安全声明37/39
危险类别码22-43
WGK Germany3

欧盟法规

ECHA物质C&L通报

上下游产品

6-氯-3,4-二氢-2H-1-萘酮 6-Chloro-3,4-Dihydronaphthalen-1(2H)-One 26673-31-4
6-Chloro-1,2,3,4-Tetrahydronaphthalen-1-Ol 75693-16-2

合成工艺路线路线简述

13269-77-7 + 620-20-2 = 17556-18-2 + 82302-27-0
反应条件:1.1 Reagents: Magnesium Solvents: Tetrahydrofuran; 0.5 H,-50 °C1.2 Catalysts: Copper Bromide (Cubr) Solvents: Tetrahydrofuran; -50 °C; 3.0 H,-50 °C -> Rt2.1 Reagents: Titanium Tetrachloride Solvents: Dichloromethane; 0 °C; 5 H,0 °C -> Rt
标题:A Concise Method For The Synthesis Of 2-Tetralone By Titanium Tetrachloride-Promoted Cyclization Of 4-Aryl-2-Hydroxybutanal Diethyl Acetal
作者:Hon,Yung-Son; Et Al
参考文献:Tetrahedron Letters 日期:2009 卷标:50(41) 页码:5713-5715]

= 17556-18-2 + 82302-27-0
反应条件:1.1 Reagents: Benzonitrile,Potassium Bicarbonate,Hydrogen Peroxide Solvents: Methanol,Water; 16 H,Rt; 4 H,50 °C2.1 Reagents: Magnesium Solvents: Tetrahydrofuran; 0.5 H,-50 °C2.2 Catalysts: Copper Bromide (Cubr) Solvents: Tetrahydrofuran; -50 °C; 3.0 H,-50 °C -> Rt3.1 Reagents: Titanium Tetrachloride Solvents: Dichloromethane; 0 °C; 5 H,0 °C -> Rt
标题:A Concise Method For The Synthesis Of 2-Tetralone By Titanium Tetrachloride-Promoted Cyclization Of 4-Aryl-2-Hydroxybutanal Diethyl Acetal
作者:Hon,Yung-Son; Et Al
参考文献:Tetrahedron Letters 日期:2009 卷标:50(41) 页码:5713-5715]

1190847-97-2 = 17556-18-2 + 82302-27-0
反应条件:1.1 Reagents: Titanium Tetrachloride Solvents: Dichloromethane; 0 °C; 5 H,0 °C -> Rt
标题:A Concise Method For The Synthesis Of 2-Tetralone By Titanium Tetrachloride-Promoted Cyclization Of 4-Aryl-2-Hydroxybutanal Diethyl Acetal
作者:Hon,Yung-Son; Et Al
参考文献:Tetrahedron Letters 日期:2009 卷标:50(41) 页码:5713-5715

7-Chlor-1,2-Dihydronaphthalin置于间氯过氧苯甲酸,Magnesium Bromide体系中,用乙醚,二氯甲烷,甲苯用作溶剂,化学反应 9.0H,反应生成6-氯-3,4-二氢-2(1H)-萘酮
参考文献:Blarer,Stefan J.; Seebach,Dieter,Chemische Berichte,1983,Vol. 116,# 9,P. 3086-3096
标题:Blarer,Stefan J.; Seebach,Dieter,Chemische Berichte,1983,Vol. 116,# 9,P. 3086-3096

海关参考信息

2902600000-乙苯
2903919090-氯苯
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:EP-0684234-B1
优先权日:1994-05-26
标题:Synthesis of benzoquinolinones
发明人：AUDIA JAMES EDMUND; DROSTE JAMES JOSEPH; HEATH PERRY CLARK; WEIGEL LELAND OTTO
权利人:LILLY CO ELI
摘要:A process for preparing 10b-methyl-3-oxo-benzo[f] quinolines of the formula wherein R is hydrogen, methylthio, chloro, bromo or fluoro, and is located at the 7-, 8- or 9-position; comprising reacting a compound of the formula with methyl iodide in an ether solvent to prepare a compound of the formula combining acrylic anhydride or acryloyl chloride with the reaction mixture comprising the compound of formula III to prepare a compound of the formula quenching the reaction with sodium bicarbonate, evaporating the organic solution comprising the compound of formula IV; and combining the residue comprising the compound of formula IV with a trialkylsilane and trifluoroacetic acid in the absence of a solvent to prepare the compound of formula I.

专利号:EP-0684234-A1
优先权日:1994-05-26
标题 :Synthesis of benzoquinolinones

专利号:WO-9636610-A1
优先权日:1995-05-18
标题:Synthesis of benzoquinolinones

专利号:RU-2014330-C1
优先权日:1988-05-23
标题:Method of synthesis of 1,2,3,4-tetrahydronaphthalene derivatives or their pharmaceutically acceptable acid-additive salt

专利号:EP-0743303-A1
优先权日:1995-05-18
标题 :Synthesis of bezoquinolinones

专利号:RU-2126386-C1
优先权日:1991-08-21
标题:Benzo-[f]-quinolinones, method of inhibition, method of synthesis of benzo-[f]-quinolinones, method of racemates splitting and di-p-toluoyl-(d)- or (l)-tartaric acid salt