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3a,7a-dihydro-1H-benzotriazole | 1035814-32-4

中文名称
——
中文别名
——
英文名称
3a,7a-dihydro-1H-benzotriazole
英文别名
——
3a,7a-dihydro-1H-benzotriazole化学式
CAS
1035814-32-4
化学式
C6H7N3
mdl
——
分子量
121.142
InChiKey
PQTHCGTUISWTHV-UHFFFAOYSA-N
BEILSTEIN
——
EINECS
——
  • 物化性质
  • 计算性质
  • ADMET
  • 安全信息
  • SDS
  • 制备方法与用途
  • 上下游信息
  • 反应信息
  • 文献信息
  • 表征谱图
  • 同类化合物
  • 相关功能分类
  • 相关结构分类

计算性质

  • 辛醇/水分配系数(LogP):
    1.8
  • 重原子数:
    9
  • 可旋转键数:
    0
  • 环数:
    2.0
  • sp3杂化的碳原子比例:
    0.33
  • 拓扑面积:
    36.8
  • 氢给体数:
    1
  • 氢受体数:
    3

反应信息

  • 作为反应物:
    描述:
    2-bromo-N-(tertbutyl)cyclopropanecarboxamide3a,7a-dihydro-1H-benzotriazole18-冠醚-6 、 potassium hydroxide 、 potassium tert-butylate 作用下, 以 四氢呋喃 为溶剂, 反应 0.02h, 以38%的产率得到2-(1H-benzo[d][1,2,3]triazol-1-yl)-N-(tert-butyl)cyclopropanecarboxamide
    参考文献:
    名称:
    Formal Nucleophilic Substitution of Bromocyclopropanes with Azoles
    摘要:
    A highly diastereoselective protocol for the formal nucleophilic substitution of 2-bromocyclopropylcarboxamides with azoles is described. A wide range of azoles, including pyrroles, indoles, benzimidazoles, pyrazoles, and benzotriazoles, can be efficiently employed as pronucleophiles in this transformation, providing expeditious access to N-cyclopropyl heterocycles.
    DOI:
    10.1021/ol300352z
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文献信息

  • PYRIDAZINONE DERIVATIVE
    申请人:Sumitomo Dainippon Pharma Co., Ltd.
    公开号:EP3828174A1
    公开(公告)日:2021-06-02
    Provided are: a pyridazinone derivative and/or a pharmaceutically acceptable salt thereof, which is useful as a therapeutic agent and/or a prophylactic agent for diseases in which Nav1.1 is involved and various central nervous system diseases; and a medicine containing the pyridazinone derivative and/or the pharmaceutically acceptable salt thereof as an active ingredient. A compound represented by formula (1) or a pharmaceutically acceptable salt thereof. [In the formula, M1 represents a saturated or partially unsaturated C4-12 carbocyclic group or the like; R1 and R2 independently represent a hydrogen atom or the like; M2 represents a group represented by formula (2a) or the like; X1a, X1b and X1c independently represent N or the like; X2, X3 and X4 independently represent CR3 or the like; A1 and A2 independently represent N or the like; and R3 represents a hydrogen atom or the like.]
    提供了:一种哒嗪酮衍生物和/或其药学上可接受的盐,可用作 Nav1.1 参与的疾病和各种中枢神经系统疾病的治疗剂和/或预防剂;以及一种含有该哒嗪酮衍生物和/或其药学上可接受的盐作为活性成分的药物。由式(1)代表的化合物或其药学上可接受的盐。 [式中,M1 代表饱和或部分不饱和的 C4-12 碳环基团或类似物;R1 和 R2 独立地代表氢原子或类似物;M2 代表式 (2a) 所代表的基团或类似物;X1a、X1b 和 X1c 独立地代表 N 或类似物;X2、X3 和 X4 独立地代表 CR3 或类似物;A1 和 A2 独立地代表 N 或类似物;以及 R3 代表氢原子或类似物。]
  • METALLIC SURFACE ENHANCEMENT
    申请人:MacDermid Enthone Inc.
    公开号:EP2142485B1
    公开(公告)日:2019-07-24
  • TREATING SOLUTION FOR ELECTRONIC PARTS, AND PROCESS FOR PRODUCING ELECTRONIC PARTS
    申请人:FINE POLYMERS CORPORATION
    公开号:US20150279654A1
    公开(公告)日:2015-10-01
    The invention provides an aqueous solution capable of selectively protecting a nitrogen-containing silicon compound from corrosion by a treating solution for etching, cleaning or the like, etching oxygen-containing, carbon-containing silicon in particular, and making a large etch rate difference between a nitrogen-containing silicon compound and an oxygen-containing silicon compound, and a process for producing electronic parts as well. The invention is embodied by a treating solution for electronic parts that is an aqueous solution containing one or two or more of anionic surface active agents represented by the following formulae (1), (2) and (3), and a process for producing an electronic part. wherein R 1 , R 2 , and R 3 stands for hydrogen or an alkyl or alkylene group having 1 to 4 carbon atoms, and X 1 stands for a functional group capable of becoming an anionic ion. wherein R 4 stands for hydrogen or an alkyl or alkylene group having 1 to 4 carbon atoms, X 2 stands for a functional group capable of becoming an anionic ion, and n stands for a natural number of greater than 2. wherein R 5 stands for hydrogen or an alkyl or alkylene group having 1 to 4 carbon atoms, and X 3 , and X 4 stands for a functional group capable of becoming an anionic ion.
  • US9812315B2
    申请人:——
    公开号:US9812315B2
    公开(公告)日:2017-11-07
  • Formal Nucleophilic Substitution of Bromocyclopropanes with Azoles
    作者:Pavel Ryabchuk、Marina Rubina、Jack Xu、Michael Rubin
    DOI:10.1021/ol300352z
    日期:2012.4.6
    A highly diastereoselective protocol for the formal nucleophilic substitution of 2-bromocyclopropylcarboxamides with azoles is described. A wide range of azoles, including pyrroles, indoles, benzimidazoles, pyrazoles, and benzotriazoles, can be efficiently employed as pronucleophiles in this transformation, providing expeditious access to N-cyclopropyl heterocycles.
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