catechol-d2 | 15659-61-7

• 分子结构分类: 有机化合物 - 苯类化合物 - 酚类
• 英文名称: catechol-d2
• 英文别名: catechol-(O)-d2；d2-catechol；1,2-Dideuteriooxybenzene
• CAS: 15659-61-7
• 化学式: C₆H₆O₂
• 分子量: 112.097
• InChiKey: YCIMNLLNPGFGHC-ZSJDYOACSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.9
• 重原子数：
  8
• 可旋转键数：
  0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  40.5
• 氢给体数：
  2
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  catechol-d2 在 N-溴代丁二酰亚胺(NBS) 、 重水 作用下， 以 1,4-二氧六环 、 二氯甲烷-D2 、 N,N-二甲基甲酰胺 为溶剂， 反应 2.0h， 生成 5-bromobenzo[d][1,3]dioxole-2,2-d₂
  参考文献：
  名称：

  [EN] ISOTOPOLOGES, SALTS, CRYSTALLINE FORMS, STEREOISOMERS, OF METHYLONE AND ETHYLONE AND METHODS OF USE THEREOF
  [FR] ISOTOPOLOGUES, SELS, FORMES CRISTALLINES, STÉRÉOISOMÈRES, DE MÉTHYLONE ET D'ÉTHYLONE ET LEURS PROCÉDÉS D'UTILISATION

  摘要：

  Described herein are isotopically enriched analogs of methylone (e.g., deuterated analogs of methylone (e.g., (S)-methylone and (R)-methylone) with improved characteristics. Also described herein are salts (such as hydrochloride salt) and solid forms (e.g., crystalline forms) of methylone. Also described herein are stereoisomers (e.g., enantiomers) of methylone. The present disclosure also provides methods of making and methods of use of the methylone or methylone analogs and solid forms of 3,4-methylenedioxy-N-ethylcathinone hydrochloride described herein to treat brain and neurological disorders such as depression.

  公开号：

  WO2023081403A1
• 作为产物：
  描述：

  邻苯二酚 在 重水 作用下， 生成 catechol-d2
  参考文献：
  名称：

  [EN] ISOTOPOLOGES, SALTS, CRYSTALLINE FORMS, STEREOISOMERS, OF METHYLONE AND ETHYLONE AND METHODS OF USE THEREOF
  [FR] ISOTOPOLOGUES, SELS, FORMES CRISTALLINES, STÉRÉOISOMÈRES, DE MÉTHYLONE ET D'ÉTHYLONE ET LEURS PROCÉDÉS D'UTILISATION

  摘要：

  Described herein are isotopically enriched analogs of methylone (e.g., deuterated analogs of methylone (e.g., (S)-methylone and (R)-methylone) with improved characteristics. Also described herein are salts (such as hydrochloride salt) and solid forms (e.g., crystalline forms) of methylone. Also described herein are stereoisomers (e.g., enantiomers) of methylone. The present disclosure also provides methods of making and methods of use of the methylone or methylone analogs and solid forms of 3,4-methylenedioxy-N-ethylcathinone hydrochloride described herein to treat brain and neurological disorders such as depression.

  公开号：

  WO2023081403A1

文献信息

• Jutzi, Peter; Bunte, Ernst-August, Angewandte Chemie, 1992, vol. 104, # 12, p. 1636 - 1638
  作者：Jutzi, Peter、Bunte, Ernst-August

  DOI：——

  日期：——
• WAN, PETER;WU, PIN, J. CHEM. SOC. CHEM. COMMUN.,(1990) N1, C. 822-823
  作者：WAN, PETER、WU, PIN

  DOI：——

  日期：——
• Microwave spectrum of catechol (1,2-dihydroxybenzene)
  作者：Masao Onda、Kenji Hasunuma、Toshiyuki Hashimoto、Ichiro Yamaguchi

  DOI：10.1016/0022-2860(87)80042-x

  日期：1987.7
• Synthesis of deuterated catechols and benzo[D][1,3]dioxoles and derivatives thereof
  申请人：Jones Andrew D.

  公开号：US20090143432A1

  公开（公告）日：2009-06-04

  The present invention provides a convenient and efficient process for the synthesis of d 2 -benzo[d][1,3]dioxoles.
• [EN] ISOTOPOLOGES, SALTS, CRYSTALLINE FORMS, STEREOISOMERS, OF METHYLONE AND ETHYLONE AND METHODS OF USE THEREOF<br/>[FR] ISOTOPOLOGUES, SELS, FORMES CRISTALLINES, STÉRÉOISOMÈRES, DE MÉTHYLONE ET D'ÉTHYLONE ET LEURS PROCÉDÉS D'UTILISATION
  申请人：[en]TERRAN BIOSCIENCES INC.

  公开号：WO2023081403A1

  公开（公告）日：2023-05-11

  Described herein are isotopically enriched analogs of methylone (e.g., deuterated analogs of methylone (e.g., (S)-methylone and (R)-methylone) with improved characteristics. Also described herein are salts (such as hydrochloride salt) and solid forms (e.g., crystalline forms) of methylone. Also described herein are stereoisomers (e.g., enantiomers) of methylone. The present disclosure also provides methods of making and methods of use of the methylone or methylone analogs and solid forms of 3,4-methylenedioxy-N-ethylcathinone hydrochloride described herein to treat brain and neurological disorders such as depression.