伊班膦酸钠杂质6 | 77223-58-6

• 物质功能分类: 有机原料 - 羧酸类化合物及衍生物
• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 中文名称: 伊班膦酸钠杂质6
• 英文名称: N-methyl,N-(n-pentyl) benzylamine
• 英文别名: benzyl-methyl-pentyl-amine；Benzyl-methyl-pentyl-amin；N-methyl N-pentyl benzyl amine；N-benzyl-N-methylpentan-1-amine
• CAS: 77223-58-6
• 化学式: C₁₃H₂₁N
• 分子量: 191.316
• InChiKey: UFSKFPGJTHUMBE-UHFFFAOYSA-N

物化性质

• 沸点：
  126 °C(Press: 15 Torr)
• 密度：
  0.902±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.6
• 重原子数：
  14
• 可旋转键数：
  6
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.54
• 拓扑面积：
  3.2
• 氢给体数：
  0
• 氢受体数：
  1

反应信息

• 作为反应物：
  描述：

  伊班膦酸钠杂质6 生成 N-甲基正戊胺
  参考文献：
  名称：

  [EN] PROCESS FOR THE SYNTHESIS OF IBANDRONATE SODIUM
  [FR] PROCEDE DE SYNTHESE D'IBANDRONATE SODIQUE

  摘要：

  该发明涉及一种改进的合成Ibandronate sodium (I)的方法。该发明还提供了合成3-[N-(甲基戊基)氨基]丙酸(III)的新方法。

  公开号：

  WO2008035367A2
• 作为产物：
  描述：

  N-benzyl-N-pentylamine 生成 伊班膦酸钠杂质6
  参考文献：
  名称：

  1-hydroxy-3-(N-methyl-N-propylamino)propane-1,1-diphosphonic acid,

  摘要：

  本发明提供一种化学式为##STR1##的1-羟基-3-(N-甲基-N-丙基氨基)丙烷-1,1-二膦酸及其药学上可接受的盐。本发明还提供制备式I的二膦酸的方法和含有该化合物的制药组合物，用于治疗钙代谢疾病。

  公开号：

  US04942157A1

文献信息

• The first efficient bovine serum albumin catalyzed asymmetric oxidation of tertiary amines to the corresponding N-oxides via kinetic dynamic resolution
  作者：Stefano Colonna、Nicoletta Gaggero、Józef Drabowicz、Piotr Łyżwa、Marian Mikołajczyk

  DOI：10.1039/a905594k

  日期：——

  Unsymmetrical teriary amines were oxidized with a few oxidants in the presence of bovine serum albumin to give the corresponding N-oxides of the highest optical purity ever reported (up to 66%) for the reaction of asymmetric oxidation of amines via their kinetic dynamic resolution.

  在牛血清白蛋白存在下，用几种氧化剂对不对称叔胺进行氧化，得到相应的 N-氧化物，通过其动力学动态解析，在胺的不对称氧化反应中获得了迄今为止最高的光学纯度（高达 66%）。
• Diphosphonate derivatives, pharmaceutical compositions and methods of use
  申请人：Boehringer Mannheim GmbH

  公开号：US04927814A1

  公开（公告）日：1990-05-22

  The present invention provides disphosphonates of the general formula: ##STR1## wherein R.sub.1 is a straight-chain or branched, saturated or unsaturated aliphatic hydrocarbon radical of 1-9 carbon atoms which is optionally substituted by phenyl or cyclohexyl, R.sub.2 is cyclohexyl or cyclohexylmethyl, benzyl or a straight-chained or branched, saturated or unsaturated aliphatic hydrocarbon of 4 to 18 carbon atoms which is optionally substituted by phenyl or oxygen wherein the oxygen can be esterified or etherified, R.sub.3 is hydrogen or a straight-chain or branched alkyl of 1-4 carbon atoms, X is a straight-chain or branched alkylene chain of 1-6 carbon atoms and Y is hydrogen, hydroxyl or an amino group optionally substituted by alkyl radicals of 1-6 carbon atoms; as well as the pharmacologically acceptable salts thereof. The present invention also provides processes for the preparation of these diphosphonic acid derivatives and pharmaceutical compositions containing them for the prophyllaxis treatment of diseases or disturbances of calcium metabolism such as osteoporsis, Pagets disease, Bechterew's disease, bone metastases, urolithiasis, heterotropic ossifications, rheumatoid arthritis, osteoarthritis and degenerative arthrosis.

  本发明提供了一般式为：##STR1## 的二膦酸盐，其中R.sub.1是1-9个碳原子的直链或支链、饱和或不饱和的脂肪烃基，可选择性地被苯或环己基取代，R.sub.2是环己基或环己基甲基、苄基或4-18个碳原子的直链或支链、饱和或不饱和的脂肪烃基，可选择性地被苯或氧取代，其中氧可以酯化或醚化，R.sub.3是氢或1-4个碳原子的直链或支链烷基，X是1-6个碳原子的直链或支链烷基链，Y是氢、羟基或氨基，可选择性地被1-6个碳原子的烷基基团取代；以及它们的药学上可接受的盐。本发明还提供了制备这些二膦酸衍生物的方法和包含它们的药物组合物，用于预防治疗钙代谢疾病或紊乱，如骨质疏松症、帕吉特病、贝克特瑞氏病、骨转移、泌尿系结石、异位性骨化、类风湿性关节炎、骨关节炎和退行性关节炎。
• Pharmaceutical compounds
  申请人：Boulet Louis Serge

  公开号：US20070072859A1

  公开（公告）日：2007-03-29

  The present invention relates to inhibitors of serotonin and/or norepinephrine reuptake and specifically provides compounds of formula (I): wherein A is selected from —O— and —S—; X is selected from C 1 -C 8 alkyl, C 2 -C 8 alkenyl, and C 4 -C 8 cycloalkylalkyl, each of which may be optionally substituted with up to 3 substituents each independently selected from phenyl, pyrrolidinyl, piperidinyl, morpholinyl, halo, C 1 -C 4 alkyl, C 1 -C 4 alkoxy, C 1 -C 4 alkyl-S(O) n — where n is 0, 1 or 2, —CF 3 , —CN and —CONH 2 ; Y is selected from (a), (b), (c), (d), (e), (f) where R 3 , R 4 and R 5 are independently selected from hydrogen, halo, C 1 -C 4 alkyl, C 1 -C 4 alkoxy, C 1 -C 4 alkyl-S(O) n — where n is 0, 1 or 2, nitro, acetyl, —CF 3 , —SCF 3 and cyano; R 6 and R 7 are independently selected from halo, C 1 -C 4 alkyl, C 1 -C 4 alkoxy, C 1 -C 4 alkyl-S(O) n — where n is 0, 1 or 2, nitro, acetyl, —CF 3 , —SCF 3 and cyano; R 8 is selected from chloro, bromo, iodo, C 1 -C 4 alkyl, C 1 -C 4 alkoxy, C 1 -C 4 alkyl-S(O) n — where n is 0, 1 or 2, nitro, acetyl, —CF 3 , —SCF 3 and cyano; R 1 and R 2 are each independently hydrogen or C 1 -C 4 alkyl; or pharmaceutically acceptable salts thereof; or compositions thereof and methods of using the same.

  本发明涉及抑制血清素和/或去甲肾上腺素再摄取的抑制剂，具体提供了式（I）的化合物：其中A选自- O-和- S-; X选自C1-C8烷基，C2-C8烯基和C4-C8环烷基烷基，每个基团都可以选择性地被取代，每个基团独立地选自苯基，吡咯烷基，哌啶基，吗啉基，卤素，C1-C4烷基，C1-C4烷氧基，C1-C4烷基-S（O）n-其中n为0、1或2，-CF3，-CN和-CONH2; Y选自（a），（b），（c），（d），（e），（f），其中R3，R4和R5独立地选自氢，卤素，C1-C4烷基，C1-C4烷氧基，C1-C4烷基-S（O）n-其中n为0、1或2，硝基，乙酰，-CF3，-SCF3和氰基; R6和R7独立地选自卤素，C1-C4烷基，C1-C4烷氧基，C1-C4烷基-S（O）n-其中n为0、1或2，硝基，乙酰，-CF3，-SCF3和氰基; R8选自氯，溴，碘，C1-C4烷基，C1-C4烷氧基，C1-C4烷基-S（O）n-其中n为0、1或2，硝基，乙酰，-CF3，-SCF3和氰基; R1和R2各自独立地为氢或C1-C4烷基; 或其药学上可接受的盐; 或其组合物和使用方法。
• Process for the synthesis of Ibandronate sodium
  申请人：Cipla Ltd.

  公开号：US08178712B2

  公开（公告）日：2012-05-15

  The present invention relates to an improved process for the synthesis of Ibandronate sodium of formula (I). The present invention also provides novel processes for the synthesis of 3-[N-(methylpentyl)amino]propionic acid (III).

  本发明涉及一种改进的合成Ibandronate sodium (I)的过程。本发明还提供了合成3-[N-(甲基戊基)氨基]丙酸(III)的新方法。
• COMPOSITION FOR FORMING RESIST UNDERLAYER FILM AND PATTERNING PROCESS
  申请人：SHIN-ETSU CHEMICAL CO., LTD.

  公开号：US20140235796A1

  公开（公告）日：2014-08-21

  The invention provides a composition for forming a resist underlayer film including: as a component (A), a silicon-containing compound obtained by hydrolysis and/or condensation of one or more kinds of silicon compounds represented by the following general formula (A-1). There can be provided a composition for forming a resist underlayer film having etching selectivity relative to a conventional organic film and a silicon-containing film and favorable pattern adhesiveness relative to fine pattern even in a complicated patterning process. R 1A a1 R 2A a2 R 3A a3 Si(OR 0A ) (4-a1-a2-a3) (A-1)

  本发明提供了一种用于形成抗蚀底层膜的组合物，包括：作为组分（A）的硅含量化合物，所述硅含量化合物是由以下一种或多种硅化合物的水解和/或缩合得到的，所述硅化合物由以下一般式（A-1）表示。可以提供一种用于形成抗蚀底层膜的组合物，其相对于传统有机膜和硅含量膜具有蚀刻选择性，并且相对于细微图案即使在复杂的图案制作过程中也具有良好的图案附着性。 R1Aa1R2Aa2R3Aa3Si（OR0A）（4-a1-a2-a3）（A-1）