2-丁烯酸烯丙酯 | 20474-93-5

• 物质功能分类: 化学试剂 - 有机试剂 - 酯类
• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 脂肪酰基
• 中文名称: 2-丁烯酸烯丙酯
• 中文别名: 巴豆酸烯丙酯
• 英文名称: allyl 2-butenoate
• 英文别名: Prop-2-enyl but-2-enoate
• CAS: 20474-93-5
• 化学式: C₇H₁₀O₂
• 分子量: 126.155
• InChiKey: WNJBUWVXSNLWEQ-UHFFFAOYSA-N

物化性质

• 沸点：
  63-65°C 20mm
• 密度：
  0,944 g/cm3
• 闪点：
  48°C
• LogP：
  2.07
• 稳定性/保质期：
  如果按照规格正确使用和储存，则不会分解。避免与氧化物接触。

计算性质

• 辛醇/水分配系数(LogP)：
  1.6
• 重原子数：
  9
• 可旋转键数：
  4
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.29
• 拓扑面积：
  26.3
• 氢给体数：
  0
• 氢受体数：
  2

安全信息

• 危险等级：
  3
• 危险类别码：
  R10,R36/37/38
• 危险品运输编号：
  3272
• 海关编码：
  2916190090
• 包装等级：
  III
• 危险类别：
  3
• 安全说明：
  S26,S36/37/39

反应信息

• 作为反应物：
  描述：

  2-丁烯酸烯丙酯 在 N-溴代丁二酰亚胺(NBS) 、 偶氮二异丁腈 、 potassium carbonate 作用下， 以 四氯化碳 、 N,N-二甲基甲酰胺 为溶剂， 生成 (4-oxo-4-prop-2-enoxybut-2-enyl) 5-[2-chloro-4-(trifluoromethyl)phenoxy]-2-nitrobenzoate
  参考文献：
  名称：

  含不饱和羧酸酯的二苯醚衍生物的合成及除草活性

  摘要：

  设计并合成了一系列含有不饱和羧酸盐的新型二苯醚衍生物。通过1 H核磁共振和元素分析鉴定了它们的结构。生物测定结果表明，化合物5b和5c在30–40 g / hm 2的浓度下具有良好的除草作用。还讨论了结构与除草活性之间的关系。在不饱和羧酸酯基团中，丁烯酸酯是最有前途的一种。在它们上，由于具有高原卟啉原IX氧化酶抑制作用（pI ），4-乙氧基4-氧代丁烯基5-（2-氯-4-（三氟甲基）苯氧基）-2-硝基苯甲酸酯5b被确定为最有前途的候选物。50 = 6.64），并且对阔叶杂草具有良好的除草活性，对大豆具有选择性，对哺乳动物的毒性低。

  DOI：

  10.1021/jf2039444

文献信息

• [EN] SUBSTITUTED BENZYLAMINE COMPOUNDS, THEIR USE IN MEDICINE, AND IN PARTICULAR THE TREATMENT OF HEPATITIS C VIRUS (HCV) INFECTION<br/>[FR] COMPOSÉS DE BENZYLAMINE SUBSTITUÉS, LEUR UTILISATION EN MÉDECINE, EN PARTICULIER DANS LE TRAITEMENT D'UNE INFECTION PAR LE VIRUS DE L'HÉPATITE C (VHC)
  申请人：ASTEX THERAPEUTICS LTD

  公开号：WO2013064538A1

  公开（公告）日：2013-05-10

  The invention provides compounds of the formula (I): or a salt, N-oxide or tautomer thereof, wherein A is CH, CF or nitrogen; E is CH, CF or nitrogen; and R0 is hydrogen or C1-2 alkyl; R1a is selected from CONH2; CO2H; an optionally substituted acyclic C1-8 hydrocarbon group; and an optionally substituted monocyclic carbocyclic or heterocyclic group of 3 to 7 ring members, of which 0, 1, 2, 3 or 4 are heteroatom ring members selected from O, N and S; R2 is selected from hydrogen and a group R2a; R2a is selected from an optionally substituted acyclic d-8 hydrocarbon group; an optionally substituted monocyclic carbocyclic or heterocyclic group of 3 to 7 ring members, of which 0, 1 or 2 ring members are heteroatom ring members selected from O, N and S; and an optionally substituted bicyclic heterocyclic group of 9 or 10 ring members, of which 1 or 2 ring members are nitrogen atoms; wherein at least one of R1 and R2 is other than hydrogen; R3 is an optionally substituted 3- to 10-membered monocyclic or bicyclic carbocyclic or heterocyclic ring containing 0, 1, 2 or 3 heteroatom ring members selected from N, O and S; R4a is selected from halogen; cyano; C1-4 alkyl optionally substituted with one or more fluorine atoms; C1-4 alkoxy optionally substituted with one or more fluorine atoms; hydroxy-C1-4 alkyl; and C1-2 alkoxy-C1-4 alkyl; R5 is selected from hydrogen and a substituent R5a; and R5a is selected from C1-2 alkyl optionally substituted with one or more fluorine atoms; C1-3 alkoxy optionally substituted with one or more fluorine atoms; halogen; cyclopropyl; cyano; and amino, The compounds have activity against hepatitis C virus and can be used in the prevention or treatment of hepatitis C viral infections.

  该发明提供了以下式（I）的化合物，或其盐、N-氧化物或互变异构体，其中A为CH、CF或氮；E为CH、CF或氮；R0为氢或C1-2烷基；R1a选自CONH2；CO2H；一个可选择取代的非环状C1-8碳氢化合物基团；以及一个可选择取代的含有3至7个环成员的单环碳环或杂环基团，其中0、1、2、3或4个是从O、N和S中选择的杂原子环成员；R2选自氢和一个基团R2a；R2a选自一个可选择取代的非环状d-8碳氢化合物基团；一个可选择取代的含有3至7个环成员的单环碳环或杂环基团，其中0、1或2个环成员是从O、N和S中选择的杂原子环成员；以及一个可选择取代的含有9或10个环成员的双环杂环基团，其中1或2个环成员是氮原子；其中R1和R2中至少一个不是氢；R3选自一个可选择取代的含有0、1、2或3个从N、O和S中选择的杂原子环成员的3至10个成员的单环或双环碳环或杂环环；R4a选自卤素；氰基；C1-4烷基，可选择取代一个或多个氟原子；C1-4烷氧基，可选择取代一个或多个氟原子；羟基-C1-4烷基；和C1-2烷氧基-C1-4烷基；R5选自氢和一个取代基R5a；R5a选自C1-2烷基，可选择取代一个或多个氟原子；C1-3烷氧基，可选择取代一个或多个氟原子；卤素；环丙基；氰基；和氨基。这些化合物对丙型肝炎病毒具有活性，并可用于预防或治疗丙型肝炎病毒感染。
• [EN] COMPOSITION FOR TIN-SILVER ALLOY ELECTROPLATING COMPRISING A COMPLEXING AGENT<br/>[FR] COMPOSITION POUR L'ÉLECTROGALVANISATION D'ALLIAGE D'ÉTAIN ET D'ARGENT COMPRENANT UN AGENT COMPLEXANT
  申请人：BASF SE

  公开号：WO2019185468A1

  公开（公告）日：2019-10-03

  An aqueous composition comprising (a) metal ions comprising tin ions and silver ions and (b) at least one complexing agent of formula (C1) R1-X1-S-X21[D1-X22-]nS-X3-R2, (C2) R1-X1-S-X31-D2-[X32-S-]nX3-R2, (C3) R3-X1-S-X41-[D3-X42-]nS-X3-R4 wherein X1, X3 are independently selected from a linear or branched C1-C12 alkanediyl, which may be unsubstituted or substituted by OH; X21, X22 are independently selected from X1, which may be further substituted by -X5-COOR12, -X5-SO2-O-R12, a C2 to C6 polyoxyalkylene group of formula -(O-CH2- CHR11)z-OH, or a combination thereof, and -X1-NH-CO-X6-CO-NH-X1-; X31, X32 are independently selected from a chemical bond and X1; X41, X42 are independently selected from X1; X5 is a linear or branched Ci to C10 alkyl; X6 is selected from X1 and a divalent 5 or 6 membered aromatic group; R1, R2 are independently selected from a monovalent 5 or 6 membered aromatic N- heterocyclic group comprising one N atom or two N atoms which are separated by at least one C atom, and its derivatives received by N-alkylation with a C1-C6- alkyl group, which may be substituted by --COOR12 or -SO2-O-R12, and which aromatic N- heterocyclic group may optionally further comprise, under the proviso that X21 is substituted by at least one OH, one S atom; R3, R4 are independently selected from a monovalent 5 or 6 membered aliphatic N- heterocyclic group comprising one N atom and one O atom; D1 is independently selected from S, O and NR10-; D2 is (a) a divalent 5 or 6 membered aliphatic heterocyclic ring system comprising 1 or 2 S atoms, or (b) a 5 or 6 membered aromatic heterocyclic ring system comprising at least two N atoms and optionally one or two S atoms; D3 is independently selected from S and NR10-; n is an integer of from 0 to 5; z is an integer from 1 to 50; R10 is selected from H and a linear or branched C1-C12 alkyl; R11 is selected from H and a linear or branched C1 to C6 alkyl; and R12 is selected from R10 and a cation.

  一种水性组合物，包括（a）包括锡离子和银离子的金属离子和（b）至少一种具有以下结构的络合剂：（C1）R1-X1-S-X21[D1-X22-]nS-X3-R2，（C2）R1-X1-S-X31-D2-[X32-S-]nX3-R2，（C3）R3-X1-S-X41-[D3-X42-]nS-X3-R4，其中X1、X3可独立地选择自线性或支链的C1-C12脂肪二亚基，可以未取代或被OH取代；X21、X22可独立地选择自X1，可以进一步被-X5-COOR12，-X5-SO2-O-R12，具有式-(O-CH2-CHR11)z-OH的C2到C6聚氧烷基，或其组合物取代，以及-X1-NH-CO-X6-CO-NH-X1-；X31、X32可独立地选择自化学键和X1；X41、X42可独立地选择自X1；X5是线性或支链的Ci到C10烷基；X6选择自X1和双价的5或6元芳香族基；R1、R2可独立地选择自包括一个N原子或两个N原子的单价5或6元芳香N-杂环基，通过N-烷基化与C1-C6烷基基团取代的衍生物，可以被--COOR12或-SO2-O-R12取代，该芳香N-杂环基可以选择性地进一步包括，在X21至少被一个OH取代的条件下，一个S原子；R3、R4可独立地选择自包括一个N原子和一个O原子的单价5或6元脂肪N-杂环基；D1可独立地选择自S、O和NR10-；D2是（a）包括1或2个S原子的双价5或6元脂肪杂环环系统，或（b）包括至少两个N原子和可选地一个或两个S原子的5或6元芳香杂环环系统；D3可独立地选择自S和NR10-；n是从0到5的整数；z是从1到50的整数；R10选择自H和线性或支链的C1-C12烷基；R11选择自H和线性或支链的C1到C6烷基；R12选择自R10和阳离子。
• BITTER TASTE MODIFIERS INCLUDING SUBSTITUTED 1-BENZYL-3-(1-(ISOXAZOL-4-YLMETHYL)-1H-PYRAZOL-4-YL)IMIDAZOLIDINE-2,4-DIONES AND COMPOSITIONS THEREOF
  申请人：SENOMYX, INC.

  公开号：US20160376263A1

  公开（公告）日：2016-12-29

  The present invention includes compounds and compositions known to modify the perception of bitter taste, and combinations of said compositions and compounds with additional compositions, compounds, and products. Exemplary compositions comprise one or more of the following: cooling agents; inactive drug ingredients; active pharmaceutical ingredients; food additives or foodstuffs; flavorants, or flavor enhancers; food or beverage products; bitter compounds; sweeteners; bitterants; sour flavorants; salty flavorants; umami flavorants; plant or animal products; compounds known to be used in pet care products; compounds known to be used in personal care products; compounds known to be used in home products; pharmaceutical preparations; topical preparations; cannabis-derived or cannabis-related products; compounds known to be used in oral care products; beverages; scents, perfumes, or odorants; compounds known to be used in consumer products; silicone compounds; abrasives; surfactants; warming agents; smoking articles; fats, oils, or emulsions; and/or probiotic bacteria or supplements.

  本发明涵盖已知用于改变苦味感知的化合物和组合物，以及所述组合物和化合物与额外的组合物、化合物和产品的组合。示例组合物包括以下一种或多种：冷却剂；无活性药物成分；活性药用成分；食品添加剂或食品；调味剂或调味增强剂；食品或饮料产品；苦味化合物；甜味剂；苦味剂；酸味调味剂；咸味调味剂；鲜味调味剂；植物或动物产品；已知用于宠物护理产品中的化合物；已知用于个人护理产品中的化合物；已知用于家用产品中的化合物；制药制剂；局部制剂；大麻衍生或与大麻相关的产品；已知用于口腔护理产品中的化合物；饮料；香味、香水或除臭剂；已知用于消费品中的化合物；硅化合物；磨料；表面活性剂；发热剂；吸烟物品；脂肪、油脂或乳化剂；和/或益生菌或补充剂。
• Preparation of acrylic acid derivatives from alpha-or beta-hydroxy carboxylic acids
  申请人：Craciun Liliana

  公开号：US20050222458A1

  公开（公告）日：2005-10-06

  The invention is directed to a process for the preparation of α,β-unsaturated acids, esters and amides from α- or β-hydroxycarboxylic acids or esters or precursors in high yields and high selectivity. The α,β-unsaturated acids or esters are optionally prepared in the presence of specific dehydration and/or esterification catalysts. The α,β-unsaturated amides or substituted amides are prepared optionally in the presence of a dehydration and/or amidation catalyst. The source of α- or β-hydroxycarboxylic acids or precusor is preferably from a renewable resource. The precursor is defined herein.

  该发明涉及一种从α-或β-羟基羧酸或酯或前体高产率和高选择性制备α,β-不饱和酸、酯和酰胺的过程。α,β-不饱和酸或酯可以在特定的脱水和/或酯化催化剂存在下制备。α,β-不饱和酰胺或取代酰胺可以在脱水和/或酰胺化催化剂存在下选择性地制备。α-或β-羟基羧酸或前体的来源最好是可再生资源。前体在此处被定义。
• [EN] A PROCESS FOR THE PREPARATION OF ANTI-INFLAMMATORY AROYLBENZOFURAN COMPOUNDS<br/>[FR] PROCÉDÉ DE PRÉPARATION DE COMPOSÉS D'AROYLBENZOFURANNE ANTI-INFLAMMATOIRES
  申请人：COUNCIL OF SCIENT AND IND RSEARCH

  公开号：WO2015029062A1

  公开（公告）日：2015-03-05

  Disclosed herein an efficient process for synthesis of benzofuran analogues having anti-inflammatory activity which comprises, Ru-catalyzed branched and linear selective alkylation of aroylbenzofurans formula-I with alpha, beta unsaturated esters of formula-II via C-H activation in presence of base, additives and organic solvent at suitable temperature to give high yield of desired linear alkylated benzofuran compounds of formula-III or branched alkylated benzofuran compounds of formula-IV or mixture thereof.

  本文披露了一种高效合成具有抗炎活性的苯并呋喃类似物的过程，包括在碱、添加剂和有机溶剂的存在下，通过Ru催化的分支和线性选择性芳基苯并呋喃式-I与式-II的α，β不饱和酯进行烷基化反应，通过C-H活化在适当温度下，以高产率得到所需的线性烷基化苯并呋喃化合物式-III或分支烷基化苯并呋喃化合物式-IV或二者的混合物。