CAS: 49608-01-7; Ethyl 6-Chloronicotinate

该化合物是一种多种化学中间体,广泛用于制药和农用化学合成,其结构结构为氯化环和乙酯组,为进一步功能化提供了回活动,该化合物由于能够作为异环衍生物的构件,在制作活性药物成分和作物保护剂方面特别宝贵,在标准储存条件下具有良好稳定性,并表明与一系列反应条件相容,包括核分裂医学替代和交叉反应.该产品通常供应高纯度,确保合成应用的一贯性能.

英文名称Ethyl 6-Chloronicotinate
中文名称6-氯烟酸乙酯
IUPAC名称ethyl 6-chloronicotinate
其它别名Ethyl 6-Chloro-3-Pyridinecarboxylate; Ethyl 6-Chloronicotinate; Ethyl 6-Chloro-Nicotinate; 6-Chloronicotinic Acid Ethyl Ester; 6-Chloro-Nicotinic Acid Ethyl Ester
CAS编号49608-01-7
MFCD编号:MFCD00082739
EINECS号:610-463-6
FDA UNII编号:67M9L9VQH4
分子式:C8H8ClNO2
分子量:185.61
产品CID: 1482578
产品分类有机原料 → 羧酸类化合物及衍生物 → 羧酸酯及其衍生物

相似结构搜索
InChIKey: ILDJJTQWIZLGPO-UHFFFAOYSA-N
InChI=1S/C8H8ClNO2/c1-2-12-8(11)6-3-4-7(9)10-5-6/h3-5H,2H2,1H3…
计算化学: 氢键受体数3.0氢键供体数0.0可旋转键数3.0

物理性质

熔点26-30 °C(文献)
沸点249.2±20.0 °C at 760 mmHg
闪点104.5±21.8 °C
密度1.2±0.1 g/cm3
pKa:-1.95±0.10(预测)
PSA:39.19
LogP:2.05
折射率1.525
蒸汽压0.0±0.5 mmHg at 25°C
溶解性Chloroform (Slightly), Methanol (Slightly)
敏感性如果遵照规格使用和储存则不会分解，未有已知危险反应
外观形态无色至类白色油状物固体
储存条件惰性气氛,室温
产品应用该化合物用于为乙基5{[5-(1H-1-BENZIMIDAZOL-2-YL)-2-YL] 苯丙胺-2-氯乙烯酸酯进行制备,与微波辐照下的2-[6-(苯基)-3-YLL]-1 H-苯基氨氨烷进行反应.
性质描述无色或浅黄色液体,熔点26-30°C,闪点>110°C

MSDS等安全信息

GHS象形图
GHS符号GHS07;
注释: Exclamation mark
危险类别皮肤腐蚀/刺激类别2
严重眼刺激类别2
特定目标器官毒性 - 单次接触类别3
严重眼刺激类别2A
警示词Warning(警告)
危险描述H315 |造成皮肤刺激.
H319 |造成严重眼刺激.
H335 |可能引起呼吸道刺激.
防范说明P264-P280-P302+P352-P305+P351+P338-P332+P313-P337+P313
危险等级IRRITANT
UN编号NONH for all modes of transport
危险品标志Xi
安全声明26-36
危险类别码36/37/38
WGK Germany3

欧盟法规

ECHA物质C&L通报REACH预注册

上下游产品

合成工艺路线路线简述

氧烟酸置于三氯氧磷体系中,化学反应 2.0H,反应生成 6-氯烟酸乙酯
参考文献:Yamanaka,Hiroshi; Araki,Tomio; Sakamoto,Takao,Chemical And Pharmaceutical Bulletin,1988,Vol. 36,P. 2244-2247
标题:Yamanaka,Hiroshi; Araki,Tomio; Sakamoto,Takao,Chemical And Pharmaceutical Bulletin,1988,Vol. 36,P. 2244-2247

海关参考信息

2912110000-甲醛
2915110000-甲酸
2933310010-吡啶
2901100000-饱和无环烃
💡 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-8686157-B2
优先权日:2003-02-10
标题:Processes for the facile synthesis of diaryl amines and analogues thereof
发明人：SNOONIAN JOHN R; OLIVER-SHAFFER PATRICIA ANN
权利人:SNOONIAN JOHN R; OLIVER-SHAFFER PATRICIA ANN; VERTEX PHARMA
摘要:The present invention relates to processes for the facile synthesis of diaryl amines and analogues thereof. The processes of the present invention produce diaryl amines in high yield and purity. The present invention also relates to intermediates useful in the process of the present invention.

专利号:US-9221821-B2
优先权日:2012-06-05
标题:Methods for the synthesis of 1,3-substituted aminouracils and other xanthine-related compounds
发明人：DIEP NHUT; KALYAN YURIY B
权利人:FOREST LAB HOLDINGS LTD; FOREST LAB HOLDINGS LTD
摘要:Methods for the synthesis of disubstituted aminouracils and xanthine and/or xanthine-related compounds are provided.

专利号:US-5149814-A
优先权日:1987-09-30
标题:Alkyl 2-benzylidene-4-(2-alkylimidazopyrid-1-yl) benzoylacetate esters as intermediate compounds
发明人：COOPER KELVIN; FRAY MICHAEL J; RICHARDSON KENNETH; STEELE JOHN
权利人:PFIZER
摘要:Intermediates useful in the synthesis of dihydropyridine platelet activating factor antagonists of the formula ##STR1## where R is phenyl or substituted phenyl; R 3 is lower alkyl; Y is 1,4-phenylene and X is 2-alkylimidazopyridyl.

专利号:US-2007173649-A1
优先权日:2003-02-10
标题:Processes for the facile synthesis of diaryl amines and analogues thereof

专利号:US-8034950-B2
优先权日:2003-02-10
标题:Processes for the facile synthesis of diaryl amines and analogues thereof

专利号:US-2012157684-A1
优先权日:2003-02-10
标题:Processes for the facile synthesis of diaryl amines and analogues thereof