2-甲基庚烷-1-醛 | 16630-91-4

• 分子结构分类: 有机化合物 - 有机氧化合物
• 中文名称: 2-甲基庚烷-1-醛
• 中文别名: 2-甲基庚醛
• 英文名称: 2-methylheptanal
• CAS: 16630-91-4
• 化学式: C₈H₁₆O
• 分子量: 128.214
• InChiKey: DHEKCFIOOSCJRW-UHFFFAOYSA-N

物化性质

• 熔点：
  13.5°C (estimate)
• 沸点：
  167.67°C (estimate)
• 密度：
  0.8310 (estimate)
• 保留指数：
  1306
• 稳定性/保质期：

  存在于主流烟气中。

计算性质

• 辛醇/水分配系数(LogP)：
  2.7
• 重原子数：
  9
• 可旋转键数：
  5
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.88
• 拓扑面积：
  17.1
• 氢给体数：
  0
• 氢受体数：
  1

安全信息

• 海关编码：
  2912190090

反应信息

• 作为反应物：
  描述：

  2-甲基庚烷-1-醛 在 sodium tetrahydroborate 作用下， 以 甲醇 为溶剂， 以81%的产率得到2-甲基-1-庚醇
  参考文献：
  名称：

  Chemoenzymatic deracemization of (±)-2,2-disubstituted oxiranes

  摘要：

  The preparation of vicinal diets in up to 98% e.e. and 98% yield from the corresponding (+/-)-2,2-disubstituted epoxides was achieved via an enantioconvergent two-step hydrolysis: Thus, enantioselective enzymatic hydrolysis of the (S)-epoxide proceeded with retention of configuration furnishing the corresponding (S)-diol. In a subsequent step, the remaining (R)-oxirane was hydrolyzed during workup under acid catalysis with complete inversion of configuration yielding the (S)-diol. A detailed study of the latter reaction revealed that the experimental conditions have to be carefully chosen with respect to (i) nature of the acid, (ii) the solvent, and (iii) its water content to avoid racemization. (C) 1997 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0040-4020(97)10338-6
• 作为产物：
  描述：

  trimethyl-(2-methyl-1-phenylsulfanylheptyl)silane 在 间氯过氧苯甲酸 作用下， 以 二氯甲烷 为溶剂， 以51%的产率得到2-甲基庚烷-1-醛
  参考文献：
  名称：

  Phenylthiomethyltrimethylsilane : a new formyl anion synthon

  摘要：

  DOI：

  10.1016/s0040-4039(00)92774-6

文献信息

• [EN] 7-PHENYL-ISOQUINOLINE-5-SULFONYLAMINO DERIVATIVES AS INHIBITORS OF AKT (PROTEINKINASE B)<br/>[FR] DERIVES DE 7-PHENYL-ISOQUINOLINE-5-SULFONYLAMINO EN TANT QU'INHIBITEURS DE AKT (PROTEINE KINASE B)
  申请人：LILLY CO ELI

  公开号：WO2005054202A1

  公开（公告）日：2005-06-16

  The present invention relates to compounds Formula (I) as inhibitors of AKT activity, which are useful for the treatment of susceptible neoplasms and viral infections.

  本发明涉及化合物式（I）作为AKT活性抑制剂，用于治疗易感的肿瘤和病毒感染。
• [EN] PYRIDAZINONE DERIVATIVES AND USE THEREOF AS P2X7 RECEPTOR INHIBITORS<br/>[FR] DÉRIVÉS DE PYRIDAZINONE ET LEUR UTILISATION COMME INHIBITEURS DU RÉCEPTEUR P2X7
  申请人：NISSAN CHEMICAL IND LTD

  公开号：WO2009057827A1

  公开（公告）日：2009-05-07

  Novel pyridazinone compounds of formula (I), which inhibit the purinergic P2X7 receptor and are useful for prevention, therapy and improvement of inflammatory and immunological diseases.

  翻译结果为：新型的哒嗪酮化合物，其化学公式为(I)，能够抑制嘌呤能P2X7受体，并对预防、治疗和改善炎症性和免疫性疾病有益。
• [EN] INTERMEDIATES FOR THE PREPARATION OF BETA-SANTALOL<br/>[FR] INTERMÉDIAIRES DANS LA PRÉPARATION DU BÉTA-SANTALOL
  申请人：FIRMENICH & CIE

  公开号：WO2012110375A1

  公开（公告）日：2012-08-23

  The present invention concerns a process tor the preparation of a compound of formula (I) in the form of any one of its stereoisomers or mixtures thereof, and wherein the dotted line may represents an additional bond and Ra represents a hydrogen atom or a Si(Rb)3 or (Rb)2COH group, each Rb representing C1-6 alkyl group or a phenyl group. The invention concerns also the compound (I) as well as its use for the synthesis of β-santalol or of derivatives thereof.

  本发明涉及一种制备式(I)化合物的过程，其形式可以是其任一立体异构体或它们的混合物，其中虚线可能表示额外的键，Ra代表氢原子或Si(Rb)3或(Rb)2COH基团，每个Rb代表C1-6烷基或苯基。该发明还涉及化合物(I)以及其用于合成β-香檀醇或其衍生物的用途。
• CARBOXYLIC ACID DERIVATIVES AND ADHESION MOLECULE INHIBITORS CONTAINING THE SAME AS THE ACTIVE INGREDIENT
  申请人：TORAY INDUSTRIES, INC.

  公开号：EP1209147A1

  公开（公告）日：2002-05-29

  Prevention or therapy of inflammatory diseases caused by invasion of leukocytes such as monocytes, lymphocytes and eosinophils, by providing a substance which inhibits cell adhesion via an adhesion molecule, especially adhesion molecule VLA-4, is disclosed. A group of carboxylic acid derivatives represented by, for example, and adhesion molecule inhibitors comprising the same as an effective ingredient were provided.

  通过提供一种通过粘附分子抑制细胞粘附的物质，特别是粘附分子VLA-4，来预防或治疗由单核细胞、淋巴细胞和嗜酸性粒细胞侵袭引起的炎症性疾病的方法被揭示。提供了一组由羧酸衍生物代表的粘附分子抑制剂，例如，以其为有效成分的粘附分子抑制剂。
• [EN] NOVEL 5 OR 8-SUBSTITUTED IMIDAZO [1, 5-a] PYRIDINES AS INDOLEAMINE AND/OR TRYPTOPHANE 2, 3-DIOXYGENASES<br/>[FR] NOUVELLES IMIDAZO[1,5-A]PYRIDINES SUBSTITUÉES EN 5ÈME OU 8ÈME POSITION EN TANT QU'INDOLEAMINE ET/OU TRYPTOPHANE 2,3-DIOXYGÉNASES
  申请人：BEIGENE LTD

  公开号：WO2016161960A1

  公开（公告）日：2016-10-13

  Disclosed herein are 5 or 8-substituted imidazo[l,5-a]pyridines and pharmaceutical compositions comprising at least one such 5 or 8-substituted imidazo[l,5-a]pyridines, processes for the preparation thereof, and the use thereof in therapy. Disclosed herein are certain 5 or 8- substituted imidazo[l,5-a]pyridines that can be useful for inhibiting indoleamine 2,3- dioxygenase and/or tryptophane 2,3-dioxygenase and for treating diseases or disorders mediated thereby.

  本文披露了5或8-取代咪唑[1,5-a]吡啶和包含至少一种此类5或8-取代咪唑[1,5-a]吡啶的药物组合物，以及其制备方法和在治疗中的用途。本文披露了某些5或8-取代咪唑[1,5-a]吡啶，可用于抑制吲哚胺2,3-二氧化酶和/或色氨酸2,3-二氧化酶，并用于治疗由此介导的疾病或疾病。