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(E)-1-propoxybut-2-ene | 56052-71-2

中文名称
——
中文别名
——
英文名称
(E)-1-propoxybut-2-ene
英文别名
trans-But-2-enyl-n-propyl-aether;1-propoxy-but-2t-ene;2-Butene, 1-propoxy-
(E)-1-propoxybut-2-ene化学式
CAS
56052-71-2
化学式
C7H14O
mdl
——
分子量
114.188
InChiKey
IHZUHZICKKWHPH-HWKANZROSA-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):
    1.8
  • 重原子数:
    8
  • 可旋转键数:
    4
  • 环数:
    0.0
  • sp3杂化的碳原子比例:
    0.71
  • 拓扑面积:
    9.2
  • 氢给体数:
    0
  • 氢受体数:
    1

上下游信息

  • 上游原料
    中文名称 英文名称 CAS号 化学式 分子量

反应信息

  • 作为反应物:
    描述:
    (E)-1-propoxybut-2-ene 在 magnesium hydride 、 nickel dichloride 作用下, 以 四氢呋喃 为溶剂, 生成 1-丙氧基丁烷
    参考文献:
    名称:
    Angermund, Klaus; Bogdanovic, Borislav; Koppetsch, Gudrun, Zeitschrift fur Naturforschung, Teil B: Anorganische Chemie, Organische Chemie, 1986, vol. 41, # 4, p. 455 - 466
    摘要:
    DOI:
  • 作为产物:
    描述:
    巴豆醇1-碘代丙烷 在 sodium hydride 作用下, 以 N,N-二甲基甲酰胺 、 mineral oil 为溶剂, 反应 2.0h, 以44%的产率得到(E)-1-propoxybut-2-ene
    参考文献:
    名称:
    通过金催化链烷酸酯和烯丙基醚的分子间偶联作用进入β-烷氧基丙烯酸酯
    摘要:
    已开发出第一个金催化的烷氧基化物和烯丙基醚的分子间偶联,其调用烷氧基加成和[3,3]-σ重排作为关键机理。显着地,该反应显示出对由烷氧基加成至炔烃引发的途径的完全化学选择性。这种空前的反应性使得人们可以高效地重新获得各种取代的β-烷氧基丙烯酸酯。
    DOI:
    10.1021/ol4001087
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文献信息

  • Amino alcohol derivatives
    申请人:SANKYO COMPANY, LIMITED
    公开号:US20030236297A1
    公开(公告)日:2003-12-25
    Compounds of formula (I) which exhibit excellent immune suppression activity, pharmacologically acceptable salts thereof, esters thereof or other derivatives: 1 wherein R 1 and R 2 are a hydrogen atom, an amino protecting group; R 3 is a hydrogen atom, a hydroxy protecting group; R 4 is a lower alkyl group; n is an integer from 1 to 6; X is an ethylene group; Y is a C 1 -C 10 alkylene group, a C 1 -C 10 alkylene group substituted with 1 to 3 substituents selected from substituent group a and b; R 5 is an aryl group; R 6 and R 7 are a hydrogen atom, a group selected from substituent group a; with the proviso when R 5 is a hydrogen atom, Y is not a single bond or a straight chain C 1 -C 10 alkylene group.
    式(I)的化合物表现出优异的免疫抑制活性,其药理学上可接受的盐,酯或其他衍生物:其中R1和R2是氢原子,氨基保护基;R3是氢原子,羟基保护基;R4是较低的烷基基团;n是1到6之间的整数;X是乙烯基团;Y是C1-C10烷基基团,带有1到3个从取代基a和b中选择的取代基的C1-C10烷基基团;R5是芳基基团;R6和R7是氢原子,从取代基a中选择的基团;但是当R5是氢原子时,Y不是单键或直链的C1-C10烷基基团。
  • Amino alcohol derivatives or phosphonic acid derivatives and pharmaceutical compositions containing these
    申请人:Nishi Takahide
    公开号:US20050043386A1
    公开(公告)日:2005-02-24
    Amino alcohol compounds and phosphonic acid compounds having excellent immunosuppressive activity, pharmacologically acceptable salts thereof and pharmacologically acceptable esters thereof, and pharmaceutical compositions comprising such compounds, the compounds having the following formula: wherein R 1 and R 2 each represent hydrogen, or a protecting group of the amino group; R 3 represents hydrogen, or a protecting group of the hydroxyl group; R 4 represents a lower alkyl group; n is 1 to 6; X represents oxygen or nitrogen, which is unsubstituted or substituted with a lower alkyl group; Y represents ethylene; Z represents a C 1 -C 10 alkylene; R 5 represents an aryl group; and R 6 and R 7 each represents hydrogen; provided that when R 5 represents hydrogen, then Z represents a group other than a single bond or a straight chain C 1 -C 10 alkylene group.
    具有出色的免疫抑制活性的氨基醇化合物和膦酸化合物,其药理学上可接受的盐和药理学上可接受的酯,以及包含这些化合物的制药组合物,其中化合物具有以下式子:其中R1和R2各代表氢,或氨基保护基;R3代表氢,或羟基保护基;R4代表较低的烷基;n为1至6;X代表氧或氮,未取代或取代为较低的烷基;Y代表乙烯;Z代表C1-C10烷基;R5代表芳基;R6和R7各代表氢;但是当R5代表氢时,Z代表除单键或直链C1-C10烷基组以外的一种基团。
  • Amino alcohol compounds
    申请人:Nishi Takahide
    公开号:US20070105933A1
    公开(公告)日:2007-05-10
    A method for the preventing a disease selected from the group consisting of rheumatoid arthritis and psoriasis in a mammal, such as a human, in need thereof, which includes administering to the mammal a pharmaceutically effective amount of a compound of formula (Ia) wherein R 1 and R 2 are each hydrogen; R 3 is hydrogen; R 4 is C 1 -C 2 alkyl; n is 2; X is=N-D, wherein D is hydrogen, C 1 -C 4 alkyl or phenyl; Y is ethylene, ethynylene, —CO—CH 2 or phenylene; Z is ethylene or trimethylene; R 5 is an unsubstituted C 3 -C 10 cycloalkyl, an unsubstituted C 6 -C 10 aryl, or a C 3 -C 10 cycloalkyl or C 6 -C 10 aryl substituted with 1 to 3 substituents selected from the group consisting of halogen, lower alkyl, halogeno lower alkyl and lower alkoxy; and R 6 and R 7 are each hydrogen.
    本发明涉及一种用于预防哺乳动物,例如人类,需要预防风湿性关节炎和银屑病等疾病的方法,包括向哺乳动物内部给予化合物(Ia)的药物有效量,其中R1和R2均为氢; R3为氢; R4为C1-C2烷基; n为2; X为=N-D,其中D为氢、C1-C4烷基或苯基; Y为乙烯基、乙炔基、-CO-CH2或苯基; Z为乙烯基或三亚甲基; R5为未取代的C3-C10环烷基、未取代的C6-C10芳基或取代有1-3个取代基的C3-C10环烷基或C6-C10芳基,所述取代基选自卤素、低碳基、卤代低碳基和低烷氧基的群体; R6和R7均为氢。
  • Method for treating a immunology-related disease
    申请人:Nishi Takahide
    公开号:US20090326038A1
    公开(公告)日:2009-12-31
    A method for treating an immunology-related disease. The method involves administering to a mammal in need thereof a pharmaceutically effective amount of an amino acid compound, a pharmacologically acceptable salt thereof or a pharmacologically acceptable ester thereof. The compound has the following formula: , wherein R 1 and R 2 are each hydrogen; R 3 is hydrogen; R 4 is C 1 -C 2 alkyl; n is 2; X is ═N-D, wherein D is hydrogen, C 1 -C 4 alkyl or phenyl; Y is ethylene, ethynylene, —CO—CH 2 or phenylene; Z is ethylene or trimethylene; R 5 is unsubstituted C 3 -C 10 cycloalkyl, unsubstituted C 3 -C 10 aryl, or C 3 -C 10 cycloalkyl or C 6 -C 10 aryl substituted with 1 to 3 substituents selected from the group consisting of halogen, lower alkyl, halogeno lower alkyl and lower alkoxy; and R 6 and R 7 are each hydrogen.
    一种治疗免疫相关疾病的方法。该方法涉及向需要治疗的哺乳动物中注射药物有效量的氨基酸化合物,其药理学上可接受的盐或其药理学上可接受的酯。该化合物具有以下式子:其中R1和R2均为氢;R3为氢;R4为C1-C2烷基;n为2;X为═N-D,其中D为氢、C1-C4烷基或苯基;Y为乙烯、乙炔基、—CO—CH2或苯基;Z为乙烯或三亚甲基;R5为未取代的C3-C10环烷基、未取代的C3-C10芳基或取代有1至3个卤素、低烷基、卤代低烷基和低烷氧基的C3-C10环烷基或C6-C10芳基;R6和R7均为氢。
  • 8-AZAPROSTAGLANDIN DERIVATIVE COMPOUND AND AGENT COMPRISING THE COMPOUND AS ACTIVE INGREDIENT
    申请人:TANI Kousuke
    公开号:US20090042885A1
    公开(公告)日:2009-02-12
    An 8-azaprostaglandin represented by formula (I) (wherein all symbols have the same meanings as described in the specification), a pharmaceutically acceptable salt thereof or a cyclodextrin clathrate thereof. Since the compound represented by formula (I) binds to EP2 subtype among PGE receptor strongly, it is useful for preventive and/or treatment for immune diseases, allergic diseases, neuronal cell death, dysmenorrhea, premature birth, abortion, baldness, retinal neuropathy such as glaucoma, erectile dysfunction, arthritis, pulmonary injury, pulmonary fibrosis, pulmonary emphysema, bronchitis, chronic obstructive pulmonary disease, hepatic injury, acute hepatitis, liver cirrhosis, shock, nephritis, renal failure, circulatory diseases, systemic inflammatory response syndrome, sepsis, hemophagocytosis syndrome, macrophage activation syndrome, still disease, Kawasaki Disease, burn, systemic granuloma, ulcerative colitis, Crohn disease, hypercytokinemia at dialysis, multiple organ failure, or bone diseases etc.
    式(I)所表示的8-氮代前列腺素化合物(其中所有符号的含义与说明书中描述的相同),其药学上可接受的盐或环糊精包合物。由于式(I)所表示的化合物强烈结合到PGE受体中的EP2亚型,因此它对预防和/或治疗免疫性疾病、过敏性疾病、神经元细胞死亡、痛经、早产、流产、脱发、青光眼等视网膜神经病变、勃起功能障碍、关节炎、肺损伤、肺纤维化、肺气肿、支气管炎、慢性阻塞性肺疾病、肝损伤、急性肝炎、肝硬化、休克、肾炎、肾衰竭、循环系统疾病、全身炎症反应综合征、败血症、吞噬细胞综合征、巨噬细胞活化综合征、斯蒂尔病、川崎病、烧伤、全身性肉芽肿、溃疡性结肠炎、克罗恩病、透析时的高细胞因子血症、多器官功能障碍或骨疾病等方面具有用处。
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