1-氯辛烷-3-酮 | 62005-96-3

• 分子结构分类: 有机化合物 - 有机氧化合物
• 中文名称: 1-氯辛烷-3-酮
• 英文名称: 1-chloro-3-octanone
• 英文别名: 1-chloro-octan-3-one；1-Chlor-octan-3-on；1-Chloro-3-octanon；1-Chloro-octanon-3；1-Chlorooctan-3-one
• CAS: 62005-96-3
• 化学式: C₈H₁₅ClO
• mdl: MFCD19232295
• 分子量: 162.66
• InChiKey: SMKUEIVRGBGOBE-UHFFFAOYSA-N

物化性质

• 沸点：
  72-78 °C(Press: 4.8 Torr)
• 密度：
  0.961±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.4
• 重原子数：
  10
• 可旋转键数：
  6
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.875
• 拓扑面积：
  17.1
• 氢给体数：
  0
• 氢受体数：
  1

反应信息

• 作为反应物：
  描述：

  1-氯辛烷-3-酮 在 borohydride 作用下， 生成 (+/-)-1-chloro-3-octanol
  参考文献：
  名称：

  The synthesis of furan-based secoprostacyclins

  摘要：

  DOI：

  10.1016/s0040-4039(00)88371-9
• 作为产物：
  描述：

  2-[2-(2-Pentyl-[1,3]dithian-2-yl)-ethoxy]-tetrahydro-pyran 生成 1-氯辛烷-3-酮
  参考文献：
  名称：

  The synthesis of furan-based secoprostacyclins

  摘要：

  DOI：

  10.1016/s0040-4039(00)88371-9

文献信息

• NOVEL PROCESSES FOR THE PREPARATION OF PHENYLCYCLOPROPYLAMINE DERIVATIVES AND USE THEREOF FOR PREPARING TICAGRELOR
  申请人：Khile Anil Shahaji

  公开号：US20130165696A1

  公开（公告）日：2013-06-27

  Provided herein are novel processes for the preparation of phenylcyclopropylamine derivatives, which are useful intermediates in the preparation of triazolo[4,5-d]pyrimidine compounds. Provided particularly herein are novel, commercially viable and industrially advantageous processes for the preparation of a substantially pure ticagrelor intermediate, trans-(1R,2S)-2-(3,4-difluorophenyl)-cyclopropylamine. Provided further herein are novel acid addition salts of trans-(1R,2S)-2-(3,4-difluorophenyl)-cyclopropylamine, and process for their preparation. The intermediate and its acid addition salts are useful for preparing ticagrelor, or a pharmaceutically acceptable salt thereof, in high yield and purity.

  本文提供了一种制备苯基环丙胺衍生物的新型工艺，这些衍生物在三唑并[4,5-d]嘧啶化合物的制备中是有用的中间体。特别提供了一种新颖、商业可行且在工业上具有优势的工艺，用于制备一种基本纯的替卡格雷中间体，即trans-(1R,2S)-2-(3,4-二氟苯基)-环丙胺。此外，本文还提供了trans-(1R,2S)-2-(3,4-二氟苯基)-环丙胺的新型酸加盐，以及其制备工艺。该中间体及其酸加盐对于高产率和纯度制备替卡格雷或其药用可接受盐是有用的。
• The friedel-crafts reaction of acid chlorides with ethene ; Di-addition and molecular rearrangement
  作者：Francis X Bates、John A Donnelly、John R Keegan

  DOI：10.1016/s0040-4020(01)80962-5

  日期：1991.1

  Acid chlorides, complexed with excess aluminium chloride, reacted with ethene to form 3-methyl-2-buten-1-ones, i.e. rearranged di-addition products having a terminal isoprenoid skeleton, together with the usual β-chloropropanones. The latter were the sole products in the absence of excess catalyst. Acid chlorides containing a suitably situated π-system underwent intramolecular cyclization, e.g. 2-

  酰氯与过量的氯化铝络合，与乙烯反应形成3-甲基-2-丁烯-1-酮，即具有末端类异戊二烯骨架的重排二加成产物，以及通常的β-氯丙烷。后者是在没有过量催化剂的情况下的唯一产物。含有适当位置的π系统的酰氯进行了分子内环化，例如将2-苯基环丙烷羰基氯（10）环化为3,4-苯并双环[3.1.0]己-2-酮（11）。
• NOVEL PROCESS FOR PREPARING PHENYLCYCLOPROPYLAMINE DERIVATIVES USING NOVEL INTERMEDIATES
  申请人：Khile Anil Shahaji

  公开号：US20130150577A1

  公开（公告）日：2013-06-13

  Provided herein is a novel process for the preparation of phenylcyclopropylamine derivatives, which are useful intermediates in the preparation of triazolo[4,5-d]pyrimidine compounds. Provided particularly herein is a novel, commercially viable and industrially advantageous process for the preparation of a substantially pure ticagrelor intermediate, trans-(1R,2S)-2-(3,4-difluorophenyl)-cyclopropylamine. The intermediate is useful for preparing ticagrelor, or a pharmaceutically acceptable salt thereof, in high yield and purity.

  本文提供了一种新颖的制备苯基环丙胺衍生物的过程，这些衍生物在三唑并[4,5-d]嘧啶化合物的制备中是有用的中间体。特别提供了一种新颖的、商业可行且在工业上具有优势的过程，用于制备一种基本纯净的替卡格雷中间体，即trans-(1R,2S)-2-(3,4-二氟苯基)-环丙胺。该中间体可用于高产率和纯度地制备替卡格雷或其药学上可接受的盐。
• Method for the production of (r)-and (s)-8-chloro-6-hydroxy-octanic acid alkyl esters by enzymatic reduction
  申请人：Muller Michael

  公开号：US20050032180A1

  公开（公告）日：2005-02-10

  The invention relates to a method for the production of (R)- or (S)-8-chloro-6-hydroxyoctanoic acid alkyl esters of the general formula (R)-II or (S)-II in which R has the meaning C 1-4 -alkyl, from 8-chloro-6-oxooctanoic acid alkyl esters of the general formula I in which R has the above meaning, by enzymatic reduction using alcohol dehydrogenases, such as Lactobacillus brevis or Thermoanaerobium brokii , in the presence of cofactor regeneration systems. The resulting (R)- and (S)-8-chloro-6-hydroxyoctanoic acid esters can be converted in a known manner into (R)-α-lipoic acid and (S)-α-lipoic acid, respectively.

  本发明涉及一种生产通式为(R)-II或(S)-II的(R)-或(S)-8-氯-6-羟基辛酸烷基酯的方法。 其中 R 的含义为 C 1-4 -烷基，由通式 I 的 8-氯-6-氧代辛酸烷基酯组成 其中 R 具有上述含义，通过使用醇脱氢酶进行酶还原，如 乳酸杆菌 或 酵母菌 在辅因子再生系统存在的情况下进行酶还原。 得到的(R)-和(S)-8-氯-6-羟基辛酸酯可按已知方式分别转化为(R)-α-硫辛酸和(S)-α-硫辛酸。
• Pueschel,F.; Kaiser,C., Chemische Berichte, 1964, vol. 97, p. 2917 - 2925
  作者：Pueschel,F.、Kaiser,C.

  DOI：——

  日期：——