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2-Ethylbutyl propionate

中文名称
——
中文别名
——
英文名称
2-Ethylbutyl propionate
英文别名
2-ethylbutyl propanoate
2-Ethylbutyl propionate化学式
CAS
——
化学式
C9H18O2
mdl
——
分子量
158.24
InChiKey
YJKXXWQTIJDTET-UHFFFAOYSA-N
BEILSTEIN
——
EINECS
——
  • 物化性质
  • 计算性质
  • ADMET
  • 安全信息
  • SDS
  • 制备方法与用途
  • 上下游信息
  • 反应信息
  • 文献信息
  • 表征谱图
  • 同类化合物
  • 相关功能分类
  • 相关结构分类

计算性质

  • 辛醇/水分配系数(LogP):
    3
  • 重原子数:
    11
  • 可旋转键数:
    6
  • 环数:
    0.0
  • sp3杂化的碳原子比例:
    0.89
  • 拓扑面积:
    26.3
  • 氢给体数:
    0
  • 氢受体数:
    2

文献信息

  • Process for Production of Alkyl Tin Alkoxide Compound, and Process for Production of Carbonic Acid Ester Using the Compound
    申请人:Shinohata Masaaki
    公开号:US20100292496A1
    公开(公告)日:2010-11-18
    The present invention provides a process for producing: a compound represented by XOR 2 ; a dialkyl tin dialkoxide compound having one tin atom, two Sn—R 1 bonds and two Sn—OR 2 bonds; and/or a tetraalkyl dialkoxy distannoxane compound having one Sn—O—Sn bond, in which each tin atom of the tetraalkyl dialkoxy distannoxane compound has two Sn—R 1 bonds and one Sn—OR 2 bond, the process comprising reacting in the absence of a catalyst at least one alkyl tin compound selected from the group consisting of i) and ii) below: i) a dialkyl tin compound having one tin atom, two Sn—R 1 (wherein R 1 represents an alkyl group) bonds, and two Sn—OX bonds (wherein OX is a group in which HOX that is a conjugate acid of OX is a Bronsted acid having a pKa of from 0 to 6.8); and ii) a tetraalkyl distannoxane compound having one Sn—O—Sn bond, in which each tin atom of the tetraalkyl distannoxane compound has two Sn—R 1 bonds and one Sn—OX bond (wherein OX is a group in which HOX that is a conjugate acid of OX is a Bronsted acid having a pKa of from 0 to 6.8); and a carbonic acid ester represented by R 2 OCOOR 2 (wherein R 2 represents a linear or branched, saturated or unsaturated hydrocarbon group, a hydrocarbon group having a saturated or unsaturated cyclic hydrocarbon substituent, or a Y—CH 2 — group (wherein Y represents an alkyl polyalkylene group, an aromatic group or a cyclic saturated or unsaturated alkylene ether group)), and/or an alcohol represented by R 2 OH (wherein R 2 is the same as defined above).
    本发明提供了一种生产过程:产生一个由XOR表示的化合物;具有一个原子、两个Sn—R1键和两个Sn—OR2键的二烷基二烷氧化合物;和/或具有一个Sn—O—Sn键的四烷基二烷氧基二锡烷氧化合物,其中四烷基二烷氧基二锡烷氧化合物的每个原子具有两个Sn—R1键和一个Sn—OR2键,所述过程包括在缺乏催化剂的情况下反应以下所述组中选择的至少一种烷基化合物: i) 具有一个原子、两个Sn—R1(其中R1代表烷基基团)键和两个Sn—OX键(其中OX是HOX的共轭酸,HOX是具有从0到6.8的pKa的Bronsted酸的群)的二烷基化合物;和 ii) 具有一个Sn—O—Sn键的四烷基二锡烷氧化合物,其中四烷基二锡烷氧化合物的每个原子具有两个Sn—R1键和一个Sn—OX键(其中OX是HOX的共轭酸,HOX是具有从0到6.8的pKa的Bronsted酸的群);和 由R2OCOOR2(其中R2代表线性或支链、饱和或不饱和碳氢基团、具有饱和或不饱和环烃取代基的碳氢基团,或Y—CH2—基团(其中Y代表烷基多聚烯基基团、芳香基团或环状饱和或不饱和烷基醚基团))表示的碳酸酯;和/或 由R2OH(其中R2与上述定义相同)表示的醇。
  • Benzamidine derivatives
    申请人:SANKYO COMPANY, LIMITED
    公开号:US20040248981A1
    公开(公告)日:2004-12-09
    Benzamidine derivatives of formula (I) or pharmaceutically acceptable salts thereof exhibit excellent inhibitory activity against factor Xa and are useful for treating or preventing blood coagulation disorders: 1 wherein R 1 represents a hydrogen atom, a halogen atom, an alkyl group or a hydroxyl group; R 2 represents a hydrogen atom, a halogen atom or an alkyl group, R 3 represents a hydrogen atom, an optionally substituted alkyl group, an aralkyl group, an optionally substituted alkanoyl group or an optionally substituted alkylsulfonyl group, R 4 and R 5 are the same as or different from each other and each represent a hydrogen atom, a halogen atom, an optionally substituted alkyl group, an alkoxy group, a carboxyl-group, an alkoxycarbonyl group or an optionally substituted carbamoyl group, and R 6 represents a substituted pyrrolidine group or substituted piperidine group.
    公式(I)中的苯甲酰胺衍生物或其药学上可接受的盐表现出优异的抑制因子Xa的活性,可用于治疗或预防血液凝固障碍:其中R1代表氢原子,卤原子,烷基或羟基;R2代表氢原子,卤原子或烷基,R3代表氢原子,可选取代的烷基,芳基烷基,可选取代的烷酰基或可选取代的烷基磺酰基,R4和R5相同或不同,每个代表氢原子,卤原子,可选取代的烷基,烷氧基,羧基,烷氧羰基或可选取代的基甲酰基,而R6代表取代的吡咯烷基或取代的哌嗪烷基。
  • BENZAMIDINE DERIVATIVES
    申请人:Sankyo Company, Limited
    公开号:EP1245564A1
    公开(公告)日:2002-10-02
    Benzamidine derivatives of formula (I) or pharmaceutically acceptable salts thereof exhibit excellent inhibitory activity against factor Xa and are useful for treating or preventing blood coagulation disorders: wherein R1 represents a hydrogen atom, a halogen atom, an alkyl group or a hydroxyl group; R2 represents a hydrogen atom, a halogen atom or an alkyl group, R3 represents a hydrogen atom, an optionally substituted alkyl group, an aralkyl group, an optionally substituted alkanoyl group or an optionally substituted alkylsulfonyl group, R4 and R5 are the same as or different from each other and each represent a hydrogen atom, a halogen atom, an optionally substituted alkyl group, an alkoxy group, a carboxyl group, an alkoxycarbonyl group or an optionally substituted carbamoyl group, and R6 represents a substituted pyrrolidine group or substituted piperidine group.
    式(I)的苯甲脒生物或其药学上可接受的盐类对 Xa 因子具有优异的抑制活性,可用于治疗或预防血液凝固紊乱: 其中 R1 代表氢原子、卤素原子、烷基或羟基;R2代表氢原子、卤素原子或烷基,R3代表氢原子、任选取代的烷基、芳烷基、任选取代的烷酰基或任选取代的烷磺酰基,R4和R5彼此相同或不同,各自代表氢原子、卤素原子、任选取代的烷基、烷氧基、羧基、烷氧羰基或任选取代的基甲酰基,R6代表取代的吡咯烷基或取代的哌啶基
  • CHARGE-TRANSPORTING VARNISH
    申请人:Nissan Chemical Industries, Ltd.
    公开号:EP3109914A1
    公开(公告)日:2016-12-28
    A charge-transporting varnish which contains a charge-transporting substance and an organic solvent, and which is characterized in that the organic solvent contains an acid amide derivative represented by formula (A) as a good solvent. (In the formula, R0 represents a propyl group or an isopropyl group; and each of RA and RB independently represents an alkyl group having 1-4 carbon atoms.)
    一种电荷传输清漆,它含有一种电荷传输物质和一种有机溶剂,其特征在于有机溶剂含有一种由式(A)代表的酸酰胺衍生物作为良好溶剂。 (式中,R0 代表丙基或异丙基;RA 和 RB 各自独立地代表具有 1-4 个碳原子的烷基)。
  • CHARGE-TRANSPORTING VARNISH, CHARGE-TRANSPORTING FILM, AND ORGANIC ELECTROLUMINESCENT ELEMENT
    申请人:Nissan Chemical Industries, Ltd.
    公开号:EP3249710A1
    公开(公告)日:2017-11-29
    Provided is a charge-transporting varnish that includes: a charge-transporting material comprising an arylamine derivative represented by formula (1); a dopant; and an organic solvent.
    本发明提供了一种电荷传输清漆,它包括:一种电荷传输材料,其中包含由式(1)表示的芳基胺衍生物;一种掺杂剂;以及一种有机溶剂。
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表征谱图

  • 氢谱
    1HNMR
  • 质谱
    MS
  • 碳谱
    13CNMR
  • 红外
    IR
  • 拉曼
    Raman
hnmr
mass
cnmr
ir
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  • 峰位数据
  • 峰位匹配
  • 表征信息
Shift(ppm)
Intensity
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Assign
Shift(ppm)
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测试频率
样品用量
溶剂
溶剂用量
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同类化合物

(甲基3-(二甲基氨基)-2-苯基-2H-azirene-2-羧酸乙酯) (±)-盐酸氯吡格雷 (±)-丙酰肉碱氯化物 (d(CH2)51,Tyr(Me)2,Arg8)-血管加压素 (S)-(+)-α-氨基-4-羧基-2-甲基苯乙酸 (S)-阿拉考特盐酸盐 (S)-赖诺普利-d5钠 (S)-2-氨基-5-氧代己酸,氢溴酸盐 (S)-2-[[[(1R,2R)-2-[[[3,5-双(叔丁基)-2-羟基苯基]亚甲基]氨基]环己基]硫脲基]-N-苄基-N,3,3-三甲基丁酰胺 (S)-2-[3-[(1R,2R)-2-(二丙基氨基)环己基]硫脲基]-N-异丙基-3,3-二甲基丁酰胺 (S)-1-(4-氨基氧基乙酰胺基苄基)乙二胺四乙酸 (S)-1-[N-[3-苯基-1-[(苯基甲氧基)羰基]丙基]-L-丙氨酰基]-L-脯氨酸 (R)-乙基N-甲酰基-N-(1-苯乙基)甘氨酸 (R)-丙酰肉碱-d3氯化物 (R)-4-N-Cbz-哌嗪-2-甲酸甲酯 (R)-3-氨基-2-苄基丙酸盐酸盐 (R)-1-(3-溴-2-甲基-1-氧丙基)-L-脯氨酸 (N-[(苄氧基)羰基]丙氨酰-N〜5〜-(diaminomethylidene)鸟氨酸) (6-氯-2-吲哚基甲基)乙酰氨基丙二酸二乙酯 (4R)-N-亚硝基噻唑烷-4-羧酸 (3R)-1-噻-4-氮杂螺[4.4]壬烷-3-羧酸 (3-硝基-1H-1,2,4-三唑-1-基)乙酸乙酯 (2S,4R)-Boc-4-环己基-吡咯烷-2-羧酸 (2S,3S,5S)-2-氨基-3-羟基-1,6-二苯己烷-5-N-氨基甲酰基-L-缬氨酸 (2S,3S)-3-((S)-1-((1-(4-氟苯基)-1H-1,2,3-三唑-4-基)-甲基氨基)-1-氧-3-(噻唑-4-基)丙-2-基氨基甲酰基)-环氧乙烷-2-羧酸 (2S)-2,6-二氨基-N-[4-(5-氟-1,3-苯并噻唑-2-基)-2-甲基苯基]己酰胺二盐酸盐 (2S)-2-氨基-N,3,3-三甲基-N-(苯甲基)丁酰胺 (2S)-2-氨基-3-甲基-N-2-吡啶基丁酰胺 (2S)-2-氨基-3,3-二甲基-N-(苯基甲基)丁酰胺, (2S)-2-氨基-3,3-二甲基-N-2-吡啶基丁酰胺 (2S,4R)-1-((S)-2-氨基-3,3-二甲基丁酰基)-4-羟基-N-(4-(4-甲基噻唑-5-基)苄基)吡咯烷-2-甲酰胺盐酸盐 (2R,3'S)苯那普利叔丁基酯d5 (2R)-2-氨基-3,3-二甲基-N-(苯甲基)丁酰胺 (2-氯丙烯基)草酰氯 (1S,3S,5S)-2-Boc-2-氮杂双环[3.1.0]己烷-3-羧酸 (1R,5R,6R)-5-(1-乙基丙氧基)-7-氧杂双环[4.1.0]庚-3-烯-3-羧酸乙基酯 (1R,4R,5S,6R)-4-氨基-2-氧杂双环[3.1.0]己烷-4,6-二羧酸 齐特巴坦 齐德巴坦钠盐 齐墩果-12-烯-28-酸,2,3-二羟基-,苯基甲基酯,(2a,3a)- 齐墩果-12-烯-28-酸,2,3-二羟基-,羧基甲基酯,(2a,3b)-(9CI) 黄酮-8-乙酸二甲氨基乙基酯 黄荧菌素 黄体生成激素释放激素(1-6) 黄体生成激素释放激素 (1-5) 酰肼 黄体瑞林 麦醇溶蛋白 麦角硫因 麦芽聚糖六乙酸酯 麦根酸