1,3,3-trimethoxy-1-propene

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 1,3,3-trimethoxy-1-propene
• 英文别名: cis-3-methoxyacrolein dimethylacetal；1,3,3-trimethoxypropene；(Z)-1,3,3-trimethoxyprop-1-ene
• 化学式: C₆H₁₂O₃
• 分子量: 132.159
• InChiKey: JGVSIZVWGGQMPY-PLNGDYQASA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.3
• 重原子数：
  9
• 可旋转键数：
  4
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.67
• 拓扑面积：
  27.7
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  1,3,3-trimethoxy-1-propene 在 溴 、 碳酸氢钠 作用下， 生成 2-溴-3,3-二甲氧基丙醛
  参考文献：
  名称：

  Folic acid derivatives and use in radio-assay

  摘要：

  从叶酸的代谢物中辐射测定叶酸和其代谢物的新型叶酸衍生物是通过使用I.sup.125或I.sup.131对pteroyl-.gamma.-glutamyl-tyrosine进行碘化制备的。

  公开号：

  US03989812A1
• 作为产物：
  描述：

  2-溴-1,1,3-三甲氧基丙烷 在 氢氧化钾 作用下， 以 丙醇 为溶剂， 反应 2.0h， 生成 1,3,3-trimethoxypropene 、 1,3,3-trimethoxy-1-propene
  参考文献：
  名称：

  直接制备在C-17处具有正确氧化态的Z-异三烷嗪和Z- geososchizine衍生物时的Claisen原酸酯重排

  摘要：

  利用烯丙醇1（或2）和3-甲氧基ortbopropionate三甲基丙烯酸13a进行的Claisen原酸酯重排导致Z-异三烷衍生物21a-22a（或23a-24a）在C-17处具有一个RO功能。在三烷基3,3- dialkoxyorthopropionates的情况下[三乙基3,3- diethoxyorthopropionate 14B（或3,3-二乙diethoxymethylketene 20B）和三甲基3,3- dimethoxyorthopropionate 14（或3,3-二甲基缩醛dimethoxymethylketene 20A）]，则中间乙烯酮缩醛25a，b不会根据克莱森机理进行重排以形成化合物26a，b和/或27a，b在C-17上具有两个RO功能。描述了中间体原酸酯的合成，即3-甲氧基原丙酸三甲酯13a，3，3-二甲氧基原丙酸三甲酯14a，反式-3-甲氧基原丙酸三甲酯2

  DOI：

  10.1016/0040-4020(95)00477-p

文献信息

• Symmetric, monofunctionalised polymethine dyes labelling reagents
  申请人：Innosense S.r.l.

  公开号：EP1221465A1

  公开（公告）日：2002-07-10

  A symmetric cyanine of the formula: wherein: X is selected from the group consisting of O, S and C(CH3)2; W represents non-metal atoms required to form a benzo-condensed or a naphto-condensed ring; R1 is selected from the group consisting of (CH2)nCH3, (CH2)nSO3- and (CH2)nSO3H, wherein n is an integer selected from 0 to 6 when R1 is (CH2)nCH3, and n is an integer selected from 3 to 6 when R1 is (CH2)nSO3- or (CH2)nSO3H; R2 and R3 are independently selected from the group consisting of H, a sulphonic moiety and a sulphonate moiety; Q is selected from the group consisting of: wherein q is 0 or 1 and D is selected from the group consisting of:         -C≡C-G; and wherein A is O or S and G is, or contains a N, O or S nucleophile moiety or is, or contains a moiety capable of reacting with N, O or S nucleophiles.

  公式为：其中：X从O、S和C(CH3)2组成的组中选择；W代表形成苯并或萘并环所需的非金属原子；R1从(CH2)nCH3、(CH2)nSO3-和(CH2)nSO3H组成的组中选择，其中当R1为(CH2)nCH3时，n是从0到6选择的整数，当R1为(CH2)nSO3-或(CH2)nSO3H时，n是从3到6选择的整数；R2和R3独立地从H、磺酸基团和磺酸盐基团组成的组中选择；Q从以下组成的组中选择：其中q为0或1，D从以下组成的组中选择：-C≡C-G；其中A为O或S，G是或含有N、O或S亲核基团，或是或含有能与N、O或S亲核基团发生反应的基团。
• 1,7, and 1,9-diarylpolymethine salts
  申请人：——

  公开号：US20040054178A1

  公开（公告）日：2004-03-18

  The invention relates to 1,7-diarylpentamethine and 1,9-diarylheptamethine salts, in partricular heptacarbon or nonacarbon carboxonium salts, and streptocyanines. The compounds correspond to formula [G-D-G′] + Q − in which Q is an anion of a strong acid, and G and G′ represent, independently of each other, an OEt, amino, hydrazono, hydrazino, phosphaimino, amidino or guanidino group; or a multivalent radical optionally linked at at least one of its other ends to another group D; D represents a cationic group 1,7-diarylpentamethine or 1,9-diarylheptamethine in which the aryl groups carry substituents representing, independently of each other, a hydrogen, a halogen, an alkyl radical or an alkyloxy radical having from 1 to 15 carbon atoms or an acetamido group CH 3 C(O)HN—.

  该发明涉及1,7-二芳基五甲基和1,9-二芳基七甲基盐，特别是七碳或九碳羧鎓盐和链霉青素。这些化合物对应于公式[G-D-G′]+Q−，其中Q是强酸的阴离子，G和G′分别表示OEt、氨基、肼酮基、肼基、磷胺基、酰胺基或胍基；或者是一个多价基团，可选地连接到另一个D基团的至少一个末端；D代表一个阳离子基团，1,7-二芳基五甲基或1,9-二芳基七甲基，在这些芳基上携带取代基，这些取代基分别独立地表示氢、卤素、含有1至15个碳原子的烷基基团或乙氧基基团CH3C(O)HN—。
• PYRIDAZINOINDOLE COMPOUNDS AND METHODS FOR PET IMAGING
  申请人：Vanderbilt University

  公开号：US20160220704A1

  公开（公告）日：2016-08-04

  Embodiments of the invention include a novel synthesis of the translocator protein (TSPO) ligands, and methods of imaging a molecular events. Also disclosed are compounds for treatment of diseases, including cancer.

  该发明的实施例包括一种新型的转位蛋白（TSPO）配体的合成方法，以及分子事件成像的方法。还披露了用于治疗疾病，包括癌症的化合物。
• Process and method for the preparation of asymmetric monfunctionalised indocyanine labelling reagents and obtained compounds
  申请人：——

  公开号：US20020065421A1

  公开（公告）日：2002-05-30

  A process for preparing an asymmetrical indocyanine dye comprising the steps of: a) reacting a first quaternised indolenine or substituted indolenine with a compound of the formula (II) 1 or hydrochloride thereof, wherein n is 0 or 1 Ph is phenyl or substituted phenyl X is hydrogen, halogen or alkyl, preferably chlorine, in a solvent selected from the group consisting of acetic acid, acetic anhydride and mixtures thereof in the presence of acetyl chloride, to obtain an intermediate hemicyanine, and b) further reacting said intermediate hemicyanine with a second quaternised indolenine or substituted indolenine different from said first indolenine.

  制备不对称吲哚靛染料的过程包括以下步骤：a）将第一季铵化吲哚啉或取代吲哚啉与式（II）1的化合物或其盐酸盐反应，其中n为0或1，Ph为苯基或取代苯基，X为氢、卤素或烷基，优选为氯，在乙酸、乙酸酐及其混合物中，在乙酰氯的存在下，获得中间体半青霉素，b）进一步将所述中间体半青霉素与第二季铵化吲哚啉或不同于所述第一吲哚啉的取代吲哚啉反应。
• Reagents and procedures for high-specificity labeling
  申请人：Rutgers, The State University of New Jersey

  公开号：US20040019104A1

  公开（公告）日：2004-01-29

  A molecule with two pendant phenylarsine moieties according to the general structural Formula (I) and tautomers, acids, and salts thereof: 1 wherein: (i) R 1 or R 2 , are each independently O − , S − , OR 3 or SR 3 with the provision that if either R 1 or R 2 is absent, the other remaining group is ═O or ═S; or R 1 and R 2 , together with the arsenic atom, form a ring according to one of the general structural Formulae (II), (III), (IV), or (V): 2 wherein R 3 is H, CH(OH)CH 2 OH, or (CH 2 ) q —Y, with q being 1-4 and Y being H, OH, NH 2 , SH, COOH, OAc, CONH 2 or CN, and Z represents a hydrocarbon chain comprising 2-4 singly or doubly bonded carbon atoms each of which may be further substituted with one or more of hydrogen, methyl, ethyl, 1-propyl, 2-propyl, methoxy, hydroxy, amino, carboxy, sulfo, oxo, thio, halo (fluoro, chloro, bromo, or fluoro) and (CH 2 ) n″ SO 3 , wherein n″ is 1 or 2; (ii) R 4 , R 5 , R 6 and R 7 are each independently H, F, OR 3 , R 3 , OAc, NH 2 , N(C 1 -C 4 alkyl) 2 , R 1 ; or R 4 with R 5 , or R 6 together with R 7 , or both, form a ring; (iii) R 8 is a linear or branched optionally substituted spacer having a minimum length of approximately 1.5 and a maximum length of approximately 15 Ångstroms; and (iv) X is a detectable group. Methods of using the bis-phenylarsine molecule also are provided.

  根据通用结构式（I）及其互变异构体、酸和盐，具有两个挂链苯基砷基的分子： 其中：（i）R1或R2分别独立为O−、S−、OR3或SR3，但须注意如果R1或R2中有一个不存在，则另一个剩余基团为═O或═S；或者R1和R2与砷原子一起形成一个环，符合通用结构式（II）、（III）、（IV）或（V）之一： 其中R3为H、CH(OH)CH2OH或(CH2)q—Y，其中q为1-4，Y为H、OH、NH2、SH、COOH、OAc、CONH2或CN，Z代表一个含有2-4个单键或双键碳原子的碳氢链，每个碳原子可以进一步被氢、甲基、乙基、1-丙基、2-丙基、甲氧基、羟基、氨基、羧基、磺酰基、羰基、硫基、卤素（氟、氯、溴或氟）和(CH2)n″SO3等取代，其中n″为1或2；（ii）R4、R5、R6和R7各自独立为H、F、OR3、R3、OAc、NH2、N(C1-C4烷基)2或R1；或者R4与R5，或R6与R7，或两者一起形成一个环；（iii）R8为线性或支链的可选取代的间隔物，其最小长度约为1.5，最大长度约为15埃；（iv）X为可检测的基团。还提供了使用双苯基砷分子的方法。