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2-乙基-3-(3-硝基苯基)丙烯酸 | 5253-02-1

中文名称
2-乙基-3-(3-硝基苯基)丙烯酸
中文别名
α-乙基间硝基肉桂酸;2[(3-硝基苯基)亚甲基]丁酸
英文名称
α-Ethyl-3-nitro-zimtsaeure
英文别名
2-Ethyl-3-(3-nitrophenyl)propenoic acid;2-[(3-nitrophenyl)methylidene]butanoic acid
2-乙基-3-(3-硝基苯基)丙烯酸化学式
CAS
5253-02-1
化学式
C11H11NO4
mdl
MFCD00134948
分子量
221.213
InChiKey
QMUHBYNLXQHZNR-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

物化性质

  • 熔点:
    140-142 °C
  • 沸点:
    381.3±25.0 °C(Predicted)
  • 密度:
    1.303±0.06 g/cm3(Predicted)

计算性质

  • 辛醇/水分配系数(LogP):
    2.5
  • 重原子数:
    16
  • 可旋转键数:
    3
  • 环数:
    1.0
  • sp3杂化的碳原子比例:
    0.181
  • 拓扑面积:
    83.1
  • 氢给体数:
    1
  • 氢受体数:
    4

安全信息

  • 安全说明:
    S26,S36
  • 危险类别码:
    R36/37/38
  • 海关编码:
    2916399090

SDS

SDS:cd2d28255005f506d08fa06f812ba7b8
查看

制备方法与用途

化学性质:这是一种浅黄色结晶,熔点为141-143℃。

用途:它是碘番酸的一个重要中间体。

生产方法:通过加热间硝基苯甲醛和正丁酸酐进行反应来制备。

反应信息

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文献信息

  • [EN] EP2 RECEPTOR AGONISTS<br/>[FR] AGONISTES DES RECEPTEURS EP2
    申请人:PHARMAGENE LAB LTD
    公开号:WO2005080367A1
    公开(公告)日:2005-09-01
    A compound of Formula (I) or a salt, solvate and chemically protected form thereof, wherein: R5 is an optionally substituted C5-20 aryl or C4-20 alkyl group; A is selected from the group consisting of Formulae (Ai), (Aii), (Aiii) D is selected from Formulae (Di), (Dii), (Diii), (Div), (Dv) B is selected from the group consisting of Formulae (Bi), (Bii), (Biii), (Biv) (Bv).
    一个由化学式(I)或其盐、溶剂合物和化学保护形式组成的化合物,其中:R5是一个可选择取代的C5-20芳基或C4-20烷基基团;A选自由化合物(Ai)、(Aii)、(Aiii)组成的群;D选自由化合物(Di)、(Dii)、(Diii)、(Div)、(Dv)组成的群;B选自由化合物(Bi)、(Bii)、(Biii)、(Biv)、(Bv)组成的群。
  • Rh(<scp>i</scp>)-catalyzed decarbonylative direct C2-olefination of indoles with vinyl carboxylic acids
    作者:Lingjuan Zhang、Ruiying Qiu、Xiao Xue、Yixiao Pan、Conghui Xu、Doudou Wang、Xinyu Wang、Lijin Xu、Huanrong Li
    DOI:10.1039/c4cc06036a
    日期:——
    A general and efficient Rh(I)-catalyzed decarbonylative direct C2-olefination of indoles with vinyl carboxylic acids has been developed. The reaction exhibits excellent functional group tolerance, regioselectivity and stereoselectivity, giving a broad range of C2-alkenylated indoles in good to excellent yields.
    已经开发了一种普通且有效的吲哚与乙烯基羧酸的Rh(I)催化的脱羰基直接C 2-烯化反应。该反应显示出优异的官能团耐受性,区域选择性和立体选择性,从而以良好的至优异的产率提供了广泛的C 2-烯基化的吲哚。
  • Phenylglycinamide and pyridylglycinamide derivatives useful as anticoagulants
    申请人:Zhang Xiaojun
    公开号:US20070003539A1
    公开(公告)日:2007-01-04
    The present invention provides novel phenylglycinamide derivatives of Formula (I) or (IV): or a stereoisomer, tautomer, pharmaceutically acceptable salt, solvate, or prodrug thereof, wherein the variables W, W 1 , Y, Z, R 7 , R 8 , R 9 , and R 11 are as defined herein. These compounds are selective inhibitors of factor VIIa which can be used as medicaments.
    本发明提供了式(I)或(IV)的新型苯基甘氨酰衍生物:或其立体异构体、互变异构体、药学上可接受的盐、溶剂合物或前药,其中变量W、W1、Y、Z、R7、R8、R9和R11如本文所定义。这些化合物是选择性因子VIIa的抑制剂,可用作药物。
  • EP2 receptor agonists
    申请人:Oxford William Alexander
    公开号:US20050256170A1
    公开(公告)日:2005-11-17
    A compound of formula (I): or a salt, solvate and chemically protected form thereof, wherein: R 5 is an optionally substituted C 5-20 aryl or C 4-20 alkyl group; A is selected from the group consisting of: wherein X and Y are selected from the group consisiting of: O and CR 3 ; S and CR 3 ; NH and CR 3 ; NH and N; O and N; S and N; N and S; and N and O., and where the dotted lines indicate a double bond in the appropriate location, and where Q is either N or CH; R 3 is selected from H, F, Cl and optionally substituted C 1-4 alkyl, C 1-4 alkoxy, C 5-7 aryl and C 5-7 aryl-C 1-4 alkyl groups; R 4 is selected from H, F, Cl and optionally substituted C 1-4 alkyl, C 1-4 alkoxy, C 5-7 aryl and C 5-7 aryl-C 1-4 alkyl groups; R 6 is selected from H, F, Cl and optionally substituted C 1-4 alkyl, C 1-4 alkoxy, C 5-7 aryl and C 5-7 aryl-C 1-4 alkyl groups; D is selected from: B is selected from the group consisting of: where R N′ is selected from H and C 1-4 alkyl; where one of R P3 and R P4 is —C m alkylene-R 2 and the other of R P3 and R P4 is H, m and n can be 0 or 1, and m+n=1 or 2; and additionally when R P3 is —C m alkylene-R 2 , m can also be 2 or 3, and m+n=1, 2, 3 or 4, and when R 2 is tetrazol-5-yl, m+n may be 0; or where one of R P3 and R P4 is —O—CH 2 —R 2 , and the other of R P3 and R P4 is H, n is 0; R N is H or optionally substituted C 1-4 alkyl; R 2 is either: —CO 2 H (carboxy); —CONH 2 ; —CH 2 -OH; or tetrazol-5-yl.
    化合物的化学式(I):或其盐,溶剂合物和化学保护形式,其中:R5是可选择的取代的C5-20芳基或C4-20烷基基团;A选自以下组:其中X和Y选自O和CR3;S和CR3;NH和CR3;NH和N;O和N;S和N;N和S;以及N和O,其中虚线表示适当位置的双键,Q为N或CH;R3选自H、F、Cl和可选择的取代的C1-4烷基、C1-4烷氧基、C5-7芳基和C5-7芳基-C1-4烷基基团;R4选自H、F、Cl和可选择的取代的C1-4烷基、C1-4烷氧基、C5-7芳基和C5-7芳基-C1-4烷基基团;R6选自H、F、Cl和可选择的取代的C1-4烷基、C1-4烷氧基、C5-7芳基和C5-7芳基-C1-4烷基基团;D选自:B选自以下组:其中RN'选自H和C1-4烷基;其中RP3和RP4中的一个是—Cm烷基-R2,另一个是H,m和n可以为0或1,m+n=1或2;当RP3是—Cm烷基-R2时,m也可以为2或3,m+n=1、2、3或4,当R2为四唑-5-基时,m+n可以为0;或其中RP3和RP4中的一个是—O—CH2—R2,另一个是H,n为0;RN为H或可选择的取代的C1-4烷基;R2为以下之一:—CO2H(羧基);—CONH2;—CH2-OH;或四唑-5-基。
  • Amino- or guanidino-phenylpropionic acid derivatives
    申请人:Torii & Co., Ltd.
    公开号:US04182897A1
    公开(公告)日:1980-01-08
    Amino- or guanidino-phenylpropionic ester derivatives represented by the formula: ##STR1## wherein R is --NH.sub.2 or ##STR2## R.sup.1 is hydrogen or a lower alkyl group, and R.sup.2 is an unsubstituted or a lower-alkyl-, carboxyalkyl-, lower-alkoxy-, lower-alkoxycarbonyl- or halogen-substituted phenyl group or an unsubstituted or a halogen-substituted naphthyl group, and acid addition salts thereof are novel compounds exhibiting a specific enzyme-inhibitory activity to proteolytic enzymes and, therefore, they are useful as the therapeutic agent of diseases induced by abnormal activation of these enzymes. The above-mentioned compounds can be produced by subjecting a nitrocinnamic acid derivative represented by the formula: ##STR3## and a phenol derivative or a naphthol derivative represented by the formula: HO--R.sup.2 to an esterification in the conventional manner to obtain a nitrocinnamic ester derivative, then reducing the latter compound to obtain an aminophenylpropionic ester derivative and, if desired, reacting it with cyanamide to obtain a guanidino-phenylpropionic ester derivative and, if desired, further converting the reaction product to an acid addition salt.
    化合物的名称为氨基或胍基苯丙酸酯衍生物,化学式为:##STR1## 其中,R为—NH2或##STR2## R1为氢或较低烷基,R2为未取代或取代为较低烷基、羧基烷基、较低烷氧基、较低烷氧羰基或卤素的苯基或未取代或取代为卤素的萘基,以及它们的酸加成盐是一种新型化合物,具有特定的酶抑制活性,对蛋白酶酶有抑制作用,因此它们可用于治疗由这些酶的异常活化引起的疾病。上述化合物可以通过将化学式为:##STR3## 的硝基肉桂酸衍生物和化学式为:HO—R2的苯酚衍生物或萘酚衍生物进行酯化反应以得到硝基肉桂酸酯衍生物,然后还原后得到氨基苯丙酸酯衍生物,如果需要,可以与氰胺反应得到胍基苯丙酸酯衍生物,如果需要,还可以进一步将反应产物转化为酸加成盐。
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