3-methyl-2-oxo-oct-5-ynyl-phosphonic acid-dimethylester | 88277-25-2

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 有机膦酸及其衍生物
• 英文名称: 3-methyl-2-oxo-oct-5-ynyl-phosphonic acid-dimethylester
• 英文别名: (±)-dimethyl (3-methyl-2-oxooct-5-yn-1-yl)phosphonate；(+/-)-dimethyl (3-methyl-2-oxooct-5-yn-1-yl)phosphonate；dimethyl (2-oxo-3,7-dimethyl-5-heptenyl) phosphonate；dimethyl 3-methyl-2-oxo-5-octynylphosphonate；3-methyl-2-oxooct-5-ynephosphonic acid dimethyl ester；dimethyl 3-methyl-2-oxo-5octynylphosphonate；1-dimethoxyphosphoryl-3-methyloct-5-yn-2-one
• CAS: 88277-25-2
• 化学式: C₁₁H₁₉O₄P
• 分子量: 246.243
• InChiKey: QGNQUBKXAXDDAO-UHFFFAOYSA-N

物化性质

• 沸点：
  343.2±27.0 °C(Predicted)
• 密度：
  1.081±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.3
• 重原子数：
  16
• 可旋转键数：
  6
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.73
• 拓扑面积：
  52.6
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  3-methyl-2-oxo-oct-5-ynyl-phosphonic acid-dimethylester 生成 (1S,5R,6R,7R)-7-Benzoyloxy-6-[(E)-(4RS)-4-methyl-3-oxonon-1-en-6-inyl]-2-oxabicyclo[3,3,0]octan-3-one
  参考文献：
  名称：

  NICKOLSON, R.;VORBRUEGGEN, H.;STUERZEBECHER, C.;HABEREY, M.

  摘要：

  DOI：
• 作为产物：
  描述：

  (RS)-ethyl 2-methylhept-4-ynoate 、 甲基膦酸二甲酯 在 正丁基锂 、 溶剂黄146 作用下， 以 四氢呋喃 、 正己烷 、 水 为溶剂， 生成 3-methyl-2-oxo-oct-5-ynyl-phosphonic acid-dimethylester
  参考文献：
  名称：

  2,5,6,7-tetranor-4,8-inter-m-phenylene PGI.sub.2 derivatives

  摘要：

  本文披露了一种展现出优异体内持续时间和活性的新型前列腺素I.sub.2（PGI.sub.2）衍生物，所述衍生物由以下一般式表示：##STR1##其中R.sub.1、X、R.sub.2和R.sub.3如本文所定义。

  公开号：

  US04775692A1

文献信息

• [EN] DIFLUOROLACTAM COMPOSITIONS FOR EP4-MEDIATED OSTEO RELATED DISEASES AND CONDITIONS<br/>[FR] COMPOSITIONS DE DIFLUOROLACTAME DESTINÉES À DES MALADIES ET DES AFFECTIONS OSSEUSES MÉDIÉES PAR EP4
  申请人：CAYMAN CHEMICAL CO INC

  公开号：WO2014015246A1

  公开（公告）日：2014-01-23

  Disclosed herein are compositions and methods of treating osteroporosis, bone fracture, bone loss, and increasing bone density by administration of compounds of formula (I) or compositions comprising a compound of formula (I) and a pharmaceutically acceptable carrier, wherein L1, L2, L4, R1, R4, R5, R6, and s are as defined in the specification.

  披露的是通过给予公式(I)化合物的组合物和方法来治疗骨质疏松症、骨折、骨丢失以及增加骨密度，其中组合物包含公式(I)的化合物和药用可接受的载体，其中L1、L2、L4、R1、R4、R5、R6和s按说明书定义。
• LACTAM COMPOUNDS AS EP4 RECEPTOR-SELECTIVE AGONISTS FOR USE IN THE TREATMENT OF EP4-MEDIATED DISEASES AND CONDITIONS
  申请人：CAYMAN CHEMICAL COMPANY, INC.

  公开号：US20160060216A1

  公开（公告）日：2016-03-03

  Disclosed herein are compounds of formula (I) wherein L 1 , L 2 , L 3 , L 4 , R 1 , R 4 , R 5 , R 6 , and s are as defined in the specification. Compounds of formula (I) are EP 4 agonists useful in the treatment of glaucoma, osteoporosis, bone fracture, periodontal bone loss, orthopedic implant, alopecia, neuropathic pain, and related disorders. Pharmaceutical compositions and methods of treating conditions or disorders are also described.

  披露了公式(I)的化合物 其中L 1 , L 2 , L 3 , L 4 , R 1 , R 4 , R 5 , R 6 ，和s如说明书所定义。 公式(I)的化合物是EP 4 激动剂，用于治疗青光眼、骨质疏松症、骨折、牙周骨丢失、矫形植入物、脱发、神经性疼痛和相关的疾病。 还描述了药物组合物和治疗条件或疾病的方法。
• 5-Cyano-prostacyclin derivatives and use as medicines
  申请人：Schering Aktiengesellschaft

  公开号：US04364950A1

  公开（公告）日：1982-12-21

  5-cyano-prostacyclins of the formula ##STR1## wherein R.sub.1 is OR.sub.2 or NHR.sub.3 ; R.sub.2 and R.sub.3 each independently is (a) H, (b) C.sub.1-10 -alkyl, (c) C.sub.1-10 -alkyl substituted by halo, C.sub.1-4 -alkoxy or phenyl, 1-naphthyl or 2-naphthyl, each optionally substituted as defined below, (d) C.sub.4-10 -cycloalkyl, (e) C.sub.4-10 -cycloalkyl substituted by C.sub.1-4 -alkyl, (f) phenyl, 1-naphthyl or 2-naphthyl, (g) phenyl, 1-naphthyl or 2-naphthyl substituted by 1-3 halogen atoms, phenyl, 1-3 alkyl groups of 1-4 C atoms each, or a chloromethyl-, fluoromethyl-, trifluoromethyl-, carboxyl-, hydroxy- or alkoxy-group of 1-4 C atoms, or (h) an aromatic, 5- or 6-membered heterocyclic ring containing one hetero atom which is O, N or S, the remaining atoms being carbon; R.sub.3 also possibly being an acyl group of a C.sub.1-15 -hydrocarbon carboxylic or sulfonic acid; B is straight chain or branched alkylene of 2-10 C atoms; W is hydroxymethylene or ##STR2## wherein the OH group may be in the alpha or beta position, and is optionally modified by replacement of the H atom of the OH with an ether or acyl group which is conventional for such replacements in prostaglandins and which is readily cleavable at physiological pH's; R.sub.4 is hydroxy, optionally modified as described for W above; R.sub.5, R.sub.6, R.sub.7 and R.sub.8 each independently is hydrogen, alkyl of 1-5 C atoms or methoxy; and R.sub.9 is alkyl of 1-5 C atoms or for compounds wherein R.sub.2 is H, the salts thereof with physiologically compatible bases have valuable pharmacalogical properties, e.g., hypertonic and bronchodilatory activities.

  式##STR1##中的5-氰代前列环素，其中R.sub.1是OR.sub.2或NHR.sub.3；R.sub.2和R.sub.3各自独立地是(a) H，(b) C.sub.1-10-烷基，(c) C.sub.1-10-烷基，其被卤素，C.sub.1-4-烷氧基或苯基，1-萘基或2-萘基取代，每个都可以按下面定义的方式取代，(d) C.sub.4-10-环烷基，(e) C.sub.4-10-环烷基，其被C.sub.1-4-烷基取代，(f)苯基，1-萘基或2-萘基，(g)苯基，1-萘基或2-萘基，其被1-3个卤原子，苯基，1-3个每个为1-4个碳原子的烷基，或1-4个碳原子的氯甲基，氟甲基，三氟甲基，羧基，羟基或烷氧基取代，或(h)芳香族，含有一个杂原子的5-或6-成员杂环，该杂原子是O，N或S，其余原子为碳；R.sub.3也可能是C.sub.1-15-碳氢化合物羧酸或磺酸的酰基；B是2-10个碳原子的直链或支链烷基；W是羟甲基或##STR2##其中OH基可能在α或β位置，且可以通过用在前列腺素替代中常用的醚或酰基取代OH的H原子而进行修饰，并且在生理pH下容易被裂解；R.sub.4是羟基，如上所述对W进行修饰；R.sub.5，R.sub.6，R.sub.7和R.sub.8各自独立地是氢，1-5个碳原子的烷基或甲氧基；R.sub.9是1-5个碳原子的烷基，或者对于R.sub.2为H的化合物，其与生理兼容碱盐具有有价值的药理学性质，例如高渗和支气管扩张活性。
• PROCESS FOR THE PREPARATION OF TRIPLE-BOND-CONTAINING OPTICALLY ACTIVE CARBOXYLIC ACIDS, CARBOXYLATE SALTS AND CARBOXYLIC ACID DERIVATIVES
  申请人：HORTOBÁGYI Irén

  公开号：US20200123578A1

  公开（公告）日：2020-04-23

  The invention provides a new enzimatic process for the preparation of chiral carboxylic acids, their salts and acid derivatives of the general formula (I) by enzymatic hydrolysis of racemic carboxylic acid ester of the general formula (II) and optionally subsequent esterification or acylation.

  该发明提供了一种新的酶法制备手性羧酸、其盐和一般式（I）的酸衍生物的过程，通过对一般式（II）的外消旋羧酸酯进行酶水解，然后选择性地进行酯化或酰化。
• Stereo- and regiocontrolled construction of 3-alkyl-cis-bicyclo[4.3.0]non-3-ene derivatives. An efficient synthesis of the potent homoisocarbacyclin analog
  作者：Atsuo Takahashi、Masakatsu Shibasaki

  DOI：10.1016/s0040-4039(00)96003-9

  日期：1987.1

  The stereo- and regiocontrolled synthesis of the potent homoisocarbacyclin analog 2 has been achieved by a general strategy that hopefully will allow the synthesis of other 3-alkyl-cis-bicyclo[4.3.0]non-3-ene derivatives.

  有效的同异卡威环素类似物2的立体和区域控制合成已经通过一般策略实现，该策略有望允许合成其他3-烷基-顺式-双环[4.3.0]非-3-烯衍生物。