Methyl adipate

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 脂肪酰基
• 英文名称: Methyl adipate
• 英文别名: 6-methoxy-6-oxohexanoate
• 化学式: C7H11O4-
• 分子量: 159.16
• InChiKey: UOBSVARXACCLLH-UHFFFAOYSA-M

计算性质

• 辛醇/水分配系数(LogP)：
  1.4
• 重原子数：
  11
• 可旋转键数：
  5
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.71
• 拓扑面积：
  66.4
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  Methyl adipate 、 氯化亚砜 反应 2.0h， 以gave the acid chloride (bp 80° C., 0.35 mm Hg, 7.4 g)的产率得到
  参考文献：
  名称：

  Reagents and method for detecting polychlorinated biphenyls

  摘要：

  试剂和一种免疫测定用于检测测试样品中多氯联苯的存在或数量。该测定是通过向测试样品中添加已知浓度的带有可检测基团的示踪剂和已知浓度的特异性抗体来形成混合物，孵育混合物以形成标记的示踪剂-抗体和分析物-抗体复合物，并测定形成的示踪剂-抗体复合物的存在或数量作为测试样品中分析物存在或数量的测量。提供的试剂包括示踪剂、免疫原和一种有用的添加剂化合物，可防止多氯联苯与可能存在于测试样品中的蛋白质发生非特异性结合。还提供了用于执行该测定的试剂盒。

  公开号：

  US05145790A1

文献信息

• Fused furan compound
  申请人：Kawaguchi Takayuki

  公开号：US20060094724A1

  公开（公告）日：2006-05-04

  The present invention provides a condensed furan compound of the formula (I): wherein Ring X is benzene, pyridine, or the like; Y is an optionally substituted amino, an optionally substituted cycloalkyl, an optionally substituted aryl, an optionally substituted saturated heterocyclic group, an optionally substituted unsaturated heterocyclic group; A is a single bond, lower alkylene, lower alkenylidene, lower alkenylene or an oxygen atom; R 3 is hydrogen or the like; and, R 4 is hydrogen, or the like, or pharmaceutically acceptable salts thereof, which is useful as a medicament, particularly, as an activated blood coagulation factor X inhibitor.

  本发明提供了式(I)的紧凑呋喃化合物：其中环X是苯、吡啶或类似物；Y是可选取代的氨基、可选取代的环烷基、可选取代的芳基、可选取代的饱和杂环基、可选取代的不饱和杂环基；A是单键、低级烷基、低级烯基亚烷基、低级烯基亚烯基或氧原子；R3是氢或类似物；R4是氢或类似物，或其药学上可接受的盐，其用作药物，特别是作为激活的血凝血酶X抑制剂。
• Naphthalene derivatives
  申请人：Teijin Limited

  公开号：US05149859A1

  公开（公告）日：1992-09-22

  A naphthalene derivative having the formula (I): ##STR1## wherein R.sup.1 represents a hydrogen atom, a C.sub.1 -C.sub.5 alkyl group or a non-toxic salt moiety; R.sup.2 and R.sup.3 independently represent a hydrogen atom or --OR.sup.4 where R.sup.4 represents a hydrogen atom or a C.sub.1 -C.sub.3 alkyl group; A represents a group: ##STR2## [where X.sup.1 and X.sup.2 represents an oxygen atom or N--OR.sup.5 (where R.sup.5 represents a hydrogen atom or a C.sub.1 -C.sub.3 alkyl group)], a group: ##STR3## [where Y.sup.1 and Y.sup.2 independently an oxygen atom or a group N--OR.sup.6 (where R.sup.6 represents a hydrogen atom or a C.sub.1 -C.sub.3 alkyl group)], or a group: ##STR4## (where n is 0 or 1); and B represents --(CH.sub.2).sub.m -- wherein m is an integer of 1, to 8, --(CH.sub.2).sub.m.sbsb.1 --O--(CH.sub.2).sub.m.sbsb.2 -- wherein m.sub.1 and m.sub.2 are independently 1 or 2, or ##STR5## wherein m.sub.3 is 0 or 1.

  化合物为萘衍生物，化学式为（I）：##STR1## 其中，R1代表氢原子、C1-C5烷基或非毒性盐基；R2和R3分别代表氢原子或--OR4，其中R4代表氢原子或C1-C3烷基；A代表一个基团：##STR2## [其中X1和X2代表氧原子或N--OR5（其中R5代表氢原子或C1-C3烷基）]，一个基团：##STR3## [其中Y1和Y2分别独立地代表氧原子或基团N--OR6（其中R6代表氢原子或C1-C3烷基）]，或一个基团：##STR4## （其中n为0或1）；B代表--（CH2）m--，其中m为1到8的整数，--（CH2）m1--O--（CH2）m2--，其中m1和m2独立地为1或2，或##STR5## 其中m3为0或1。
• Substituted 3,4-dihydroxy phenylethylamino compounds
  申请人：Fisons plc

  公开号：US04922022A1

  公开（公告）日：1990-05-01

  Novel compounds of the formula ##STR1## in which one of R.sub.30 and R.sub.40 represents a substituted phenylalkyl group, the other of R.sub.30 and R.sub.40 represents hydrogen or halogen, and R.sub.50 and R.sub.60 each independently represent hydrogen or alkyl; in addition R.sub.60 may represent a substituted alkyl chain interrupted by N. The compounds of the invention are useful for the treatment or prophylaxis of renal failure or cardiovascular disease.

  该式的新化合物##STR1##其中R.sub.30和R.sub.40中的一个代表取代的苯基烷基基团，另一个代表氢或卤素，而R.sub.50和R.sub.60各自独立地代表氢或烷基；此外，R.sub.60还可以代表被N中断的取代烷基链。该发明的化合物对于治疗或预防肾衰竭或心血管疾病非常有用。
• Preparation of adipic acid
  申请人：BASF Aktiengesellschaft

  公开号：US04931590A1

  公开（公告）日：1990-06-05

  Adipic acid is prepared by a process which comprises the following steps: (a) Hydroformylation of a pentenoic ester by reaction with carbon monoxide and hydrogen at elevated temperatures and under superatmospheric pressure in the presence of a cobalt carbonyl or rhodium carbonyl complex with formation of a mixture of 5-, 4- and 3-formylvaleric esters, (b) isolation of the 5-formylvaleric ester from the resulting mixture of 5-, 4- and 3-formylvaleric esters, a mixture essentially consisting of 4- and 3-formylvaleric esters remaining, (c) dehydrocarbonylation of the mixture consisting essentially of 4- and 3-formylvaleric esters in the presence of one or more elements of subgroup 8 of the Periodic Table at from 50.degree. to 400.degree. C. with formation of pentenoic esters, and recycling of the latter to stage (a) for hydroformylation, (d) oxidation of the 5-formylvaleric ester from stage (b) with molecular oxygen or a gas containing molecular oxygen to give a monoester of adipic acid, and (e) hydrolysis of the monoester of adipic acid to give adipic acid.

  己二酸的制备方法包括以下步骤：(a)在高温和超大气压下，在钴羰基或铑羰基配合物的存在下，通过与一氧化碳和氢气反应的方式，将戊烯酸酯羰基化，形成5-, 4-和3-甲酰戊酸酯的混合物；(b)从得到的5-, 4-和3-甲酰戊酸酯的混合物中分离出5-甲酰戊酸酯，剩余的主要为4-和3-甲酰戊酸酯的混合物；(c)在8族元素的一个或多个存在下，在50℃至400℃的条件下，将主要由4-和3-甲酰戊酸酯组成的混合物脱羰基化，生成戊烯酸酯，并将其回收到步骤(a)进行羰基化反应；(d)将步骤(b)中的5-甲酰戊酸酯与分子氧或含分子氧的气体氧化，生成己二酸的单酯；(e)水解己二酸单酯，生成己二酸。
• Preparation of 5-formylvaleric esters
  申请人：BASF Aktiensellschaft

  公开号：US05003102A1

  公开（公告）日：1991-03-26

  5-Formylvaleric esters are prepared by a process which comprises the following steps: (a) Hydroformylation of a pentenoic ester by reaction with carbon monoxide and hydrogen at elevated temperatures and under superatmospheric pressure in the presence of a carbonyl complex of a metal of group 8 of the Periodic Table with formation of a mixture of 5-, 4- and 3-formylvaleric esters, (b) Isolation of the 5-formylvaleric ester from the resulting mixture of 5-, 4- and 3-formylvaleric esters, a mixture essentially consisting of 4- and 3-formylvaleric esters remaining, (c) Cleavage of the mixture essentially consisting of 4- and 3-formylvaleric esters at from 50.degree. to 400.degree. C. in the presence of a catalyst to give pentenoic esters and (d) Recycling of the pentenoic esters to stage (a).

  制备5-甲酰基戊酸酯的过程包括以下步骤：(a) 在高温和超大气压下，在第8族金属的羰基配合物存在下，通过与一氧化碳和氢气反应，将戊烯酸酯羰基化，生成5-、4-和3-甲酰基戊酸酯的混合物，(b) 从生成的5-、4-和3-甲酰基戊酸酯的混合物中分离出5-甲酰基戊酸酯，剩余的混合物基本上由4-和3-甲酰基戊酸酯组成，(c) 在催化剂的存在下，将基本上由4-和3-甲酰基戊酸酯组成的混合物在50℃至400℃之间裂解，得到戊烯酸酯，(d) 将戊烯酸酯回收到步骤(a)。