3-acetoxy-3,4-dihydro-2H-thieno[3,4-b][1,4]dioxepine-6,8-dicarboxylic acid dimethyl ester | 540803-65-4

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羧酸及其衍生物
• 英文名称: 3-acetoxy-3,4-dihydro-2H-thieno[3,4-b][1,4]dioxepine-6,8-dicarboxylic acid dimethyl ester
• 英文别名: dimethyl 3-acetyloxy-3,4-dihydro-2H-thieno[3,4-b][1,4]dioxepine-6,8-dicarboxylate
• CAS: 540803-65-4
• 化学式: C₁₃H₁₄O₈S
• 分子量: 330.315
• InChiKey: MTPDXOGPSAQJHH-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.6
• 重原子数：
  22
• 可旋转键数：
  6
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.46
• 拓扑面积：
  126
• 氢给体数：
  0
• 氢受体数：
  9

反应信息

• 作为产物：
  描述：

  2-hydroxymethyl-2,3-dihydrothieno[3,4-b]-[1,4]-dioxin-5,7-dicarboxylic acid dimethyl ester 、 3-hydroxy-3,4-dihydro-2H-thieno[3,4-b][1,4]dioxepine-6,8-dicarboxylic acid dimethyl ester 、 乙酰氯 在 三乙胺 作用下， 以 二氯甲烷 为溶剂， 反应 4.0h， 生成 2-acetoxymethyl-2,3-dihydro-thieno[3,4-b][1,4]dioxine-5,7-dicarboxylic acid dimethyl ester 、 3-acetoxy-3,4-dihydro-2H-thieno[3,4-b][1,4]dioxepine-6,8-dicarboxylic acid dimethyl ester
  参考文献：
  名称：

  Layer configuration with improved stability to sunlight exposure

  摘要：

  一种在支撑物上的层状配置，该层状配置包括一层聚合物，该聚合物含有可选取代的3,4-烷基二氧杂苯结构单元，其中两个烷氧基可以相同或不同，或者一起代表一个可选取代的氧烷基氧桥，以及从聚磷酸、聚磷酸盐、硫代脂肪二酸、环己二烯化合物和从四醇酸衍生的聚羟基化合物的组中选择的一种化合物; 至少含有一个磺酸基的邻二羟基苯化合物，化学式（I）的化合物：HO—CH2—CH（OH）—（CH2）m—S—CH2—C（R1）（R2）—CH2—S—（CH2）n—CH（OH）—CH2—OH  （I）其中R1和R2独立地为H，—OH或烷基，n和m独立地为1、2或3; 化学式（II）的化合物：HO—（CH2）p—S—CH2—S—（CH2）q—OH  （II）其中p和q独立地为2、3或4; 可水解为四醇酸衍生物的化合物; 可水解为化学式（I）的化合物的化合物; 和磺酸取代的2-硫代脂肪基苯并咪唑化合物。

  公开号：

  US07147936B2

文献信息

• Layer configuration comprising an electron-blocking element
  申请人：AGFA-GEVAERT

  公开号：US20040044214A1

  公开（公告）日：2004-03-04

  A layer configuration on a support, the layer configuration comprising a non-photoactive element exclusive of poly(3,4-alkylenedioxythiophene)s and poly(3,4-dialkoxythiophene)s, the element containing a first polymer containing structural units according to formula (I): 1 in which X and Y are independently O, S, N—R 1 , Z is —(CH 2 ) m CR 2 R 3 —(CH 2 ) n —; R 1 is aryl, C 1-18 -alkyl or hydrogen; R 2 is hydrogen or —(CH 2 ) s —O—(CH 2 ) p —SO 3 − M + ; R 3 is —(CH 2 ) s —O—(CH 2 ) p —SO 3 − M + ; M + is a cation; m and n are independently a whole number from 0 to 3; s is a whole number from 0 to 10; and p is a whole number from 1 to 18, and a second polymer different from the first polymer and selected from the group consisting of optionally quaternized polyamine-polymers, polysulpho-polymers, polyphosphoric acids and polyphosphoric acid salts, the surface of one side of the element being contiguous with a positive electrode and the surface on the opposite side of the element being contiguous with a material capable of transporting holes.

  一种在支撑物上的层配置，该层配置包括一种独立于聚（3,4-烷基二氧硫杂噻吩）和聚（3,4-二烷氧基噻吩）的非光致元素，该元素包含第一种聚合物，该聚合物含有根据公式（I）的结构单元：1其中X和Y独立地为O，S，N-R1，Z为-(CH2)mCR2R3-(CH2)n-; R1为芳香族，C1-18-烷基或氢; R2为氢或-(CH2)s-O-(CH2)p-SO3-M+; R3为-(CH2)s-O-(CH2)p-SO3-M+; M+为阳离子; m和n分别为0到3的整数; s为0到10的整数; p为1到18的整数，并且第二种聚合物与第一种聚合物不同，选自可选的季铵化聚胺聚合物，聚磺酸聚合物，聚磷酸和聚磷酸盐的组中选择，元素的一侧表面与正极相邻，元素的另一侧表面与能够传输空穴的材料相邻。
• Process for preparing an aqueous or non-aqueous solution or dispersion of a polythiophene or thiophene copolymer
  申请人：Louwet Frank

  公开号：US20050245723A1

  公开（公告）日：2005-11-03

  A process for preparing an aqueous or non-aqueous solution or dispersion of a polythiophene or thiophene copolymer, containing structural units according to formula (I): in which R 1 and R 2 independently of one another represent hydrogen or a C 1-5 -alkyl group or together form an optionally substituted C 1-5 -alkylene residue, comprising the step of: preparing the polythiophene or thiophene copolymer with an initiator in a reaction is medium in the presence of polyanions under oxidizing or reducing conditions under an inert atmosphere such that when said initiator is added less than 3 mg of oxygen per litre of the reaction medium is present in the reaction medium; an aqueous or non-aqueous solution or dispersion prepared therewith; the use of an aqueous or non-aqueous dispersion or solution comprising the aqueous or non-aqueous solution or dispersion of a polythiophene or thiophene copolymer for coating an object; a printable paste containing the aqueous or non-aqueous solution or dispersion of a polythiophene or thiophene copolymer; and an electroconductive or an antistatic layer prepared using an aqueous or non-aqueous solution or dispersion comprising the aqueous or non-aqueous solution or dispersion of a polythiophene or thiophene copolymer.

  制备含有结构单元式(I)的聚噻吩或噻吩共聚物的水溶液或非水溶液或分散液的工艺，其中R1和R2独立地表示氢或C1-5烷基或一起形成一个可选择取代的C1-5烷基残基，包括以下步骤：在惰性气氛下，在存在聚阴离子的反应介质中使用引发剂制备聚噻吩或噻吩共聚物，在氧化或还原条件下，当添加少于每升反应介质中3毫克氧时，制备得到水溶液或非水溶液或分散液；使用含有聚噻吩或噻吩共聚物的水溶液或非水溶液或分散液的水溶液或非水溶液或分散液涂覆物体；包含聚噻吩或噻吩共聚物的水溶液或非水溶液或分散液的可印刷浆料；以含有聚噻吩或噻吩共聚物的水溶液或非水溶液或分散液制备的导电层或抗静电层。
• 3,4-Alkylenedioxythiophene compounds and polymers thereof
  申请人：AGFA-GEVAERT

  公开号：US20030176628A1

  公开（公告）日：2003-09-18

  A thiophene compound represented by formula (I): 1 in which A represents a C 1-5 -alkylene bridge; R represents a —R 1 —(C═O)—R 2 group; —R 1 — represents a —R 3 — or —R 4 —X—R 5 — group; R 2 is hydrogen, a hydroxy group, a thiol group, —NR 6 R 7 , —OR 8 or a —SR 9 group; R 3 , R 4 and R 5 are independently an alkylene group or an arylene group; X is a —O—, —S— or ═NR 10 ; R 6 and R 7 are independently hydrogen, an optionally substituted amino group or an optionally substituted alkyl group; R 8 and R 9 are independently an optionally substituted alkyl group (optionally with at least one substituent selected from the group consisting of an alcohol, amide, ether, ester or sulfonate group), an optionally substituted aryl group or a —SiR 11 R 12 R 13 group; R 10 is an alkyl, aryl or acyl group; and R 11 R 12 and R 13 are independently an optionally substituted alkoxy or alkyl group; polymers derived therefrom; a process for polymerizing a thiophene according to formula (I), optionally chemically or electrochemically; and solutions, dispersions, pastes and layers containing polymers derived therefrom.

  一种由公式（I）表示的噻吩化合物：其中A代表C1-5-烷基桥；R代表—R1—（C═O）—R2基团；—R1—代表—R3—或—R4—X—R5—基团；R2为氢、羟基、硫醇基、—NR6R7、—OR8或—SR9基团；R3、R4和R5分别为烷基基团或芳基基团；X为—O—、—S—或═NR10；R6和R7分别为氢、可选取代的氨基基团或可选取代的烷基基团；R8和R9分别为可选取代的烷基基团（可选含有醇、酰胺、醚、酯或磺酸盐基团中的至少一个取代基），可选取代的芳基基团或—SiR11R12R13基团；R10为烷基、芳基或酰基基团；R11、R12和R13分别为可选取代的烷氧基或烷基基团；由此导出的聚合物；根据公式（I）聚合噻吩的过程，可选择化学或电化学；以及含有由此导出的聚合物的溶液、分散体、糊状物和层。
• Process for preparing an aqueous or non-aqueous solution or dispersion of a polythionphene or thiophene copolymer
  申请人：Agfa-Gevaert

  公开号：US20030211331A1

  公开（公告）日：2003-11-13

  A process for preparing an aqueous or non-aqueous solution or dispersion of a polythiophene or thiophene copolymer, containing structural units according to formula (I): 1 in which R 1 and R 2 independently of one another represent hydrogen or a C 1-5 -alkyl group or together form an optionally substituted C 1-5 -alkylene residue, comprising the step of: preparing the polythiophene or thiophene copolymer with an initiator in a reaction medium in the presence of polyanions under oxidizing or reducing conditions under an inert atmosphere such that when said initiator is added less than 3 mg of oxygen per litre of the reaction medium is present in the reaction medium; an aqueous or non-aqueous solution or dispersion prepared therewith; the use of an aqueous or non-aqueous dispersion or solution comprising the aqueous or non-aqueous solution or dispersion of a polythiophene or thiophene copolymer for coating an object; a printable paste containing the aqueous or non-aqueous solution or dispersion of a polythiophene or thiophene copolymer; and an electroconductive or an antistatic layer prepared using an aqueous or non-aqueous solution or dispersion comprising the aqueous or non-aqueous solution or dispersion of a polythiophene or thiophene copolymer.

  一种制备含有式(I)中所述结构单元的聚噻吩或噻吩共聚物的水性或非水性溶液或分散液的方法，其中R1和R2独立地表示氢或C1-5烷基或共同形成一个可选的取代的C1-5烷基残基，包括以下步骤：在惰性气氛下，在存在聚阴离子的反应介质中使用引发剂制备聚噻吩或噻吩共聚物，在氧化或还原条件下，使得当添加少于每升反应介质中3毫克的氧气时，反应介质中存在氧气；由此制备的水性或非水性溶液或分散液；使用含有聚噻吩或噻吩共聚物的水性或非水性分散液或溶液涂覆物体；含有聚噻吩或噻吩共聚物的水性或非水性溶液或分散液的可印刷浆料；使用含有聚噻吩或噻吩共聚物的水性或非水性溶液或分散液制备的导电或抗静电层。
• New 3,4-alkylenedioxy-thiophene copolymers
  申请人：Groenendaal Bert

  公开号：US20050009986A1

  公开（公告）日：2005-01-13

  An aqueous dispersion of a copolymer of at least one 3,4-alkylenedioxythiophene compound with a solubility in water at 25° C. of less than 2.2 g/L with at least one 3,4-alkylenedioxythiophene compound with a solubility in water at 25° C. of at least 2.2 g/L and a polyanion; a preparation process therefor; its use for coating; a printing ink containing the aqueous dispersion; an electro-conductive layer containing a copolymer of at least one 3,4-alkylenedioxythiophene compound with a solubility in water at 25° C. of less than 2.2 g/L with at least one 3,4-alkylenedioxythiophene compound with a solubility in water at 25° C. of at least 2.2 g/L and a polyanion derived from an aqueous dispersion thereof; and an antistatic layer containing a copolymer of at least one 3,4-alkylenedioxy-thiophene compound with a solubility in water at 25° C. of less than 2.2 g/L with at least one 3,4-alkylenedioxythiophene compound with a solubility in water at 25° C. of at least 2.2 g/L and a polyanion derived from an aqueous dispersion thereof.

  一种水分散体，包含至少一种在25℃下水溶性小于2.2 g/L的3,4-亚烷二氧基噻吩共聚物，与至少一种在25℃下水溶性大于等于2.2 g/L的3,4-亚烷二氧基噻吩共聚物和一个多阴离子；其制备方法；用于涂层的使用；包含该水分散体的印刷油墨；包含至少一种在25℃下水溶性小于2.2 g/L的3,4-亚烷二氧基噻吩共聚物，与至少一种在25℃下水溶性大于等于2.2 g/L的3,4-亚烷二氧基噻吩共聚物和一个多阴离子的导电层，由其水分散体衍生；以及包含至少一种在25℃下水溶性小于2.2 g/L的3,4-亚烷二氧基噻吩共聚物，与至少一种在25℃下水溶性大于等于2.2 g/L的3,4-亚烷二氧基噻吩共聚物和一个多阴离子的抗静电层，由其水分散体衍生。