84359-61-5 (9-(3-溴丙基)-9H-咔唑,9-(3-Bromopropyl)-9H-carbazole)

CAS号:
84359-61-5
中文名称:
9-(3-溴丙基)-9H-咔唑
英文名称:
9-(3-Bromopropyl)-9H-carbazole
分子式:
C15H14BrN
分子量:
288.182363033295

9-(3-溴丙基)-9H-咔唑(84359-61-5)名称与标识符

名称

中文别名:
9-(3-溴丙基)-9H-咔唑;
英文别名:
9H-Carbazole, 9-(3-bromopropyl)-;9-(3-BROMOPROPYL)-9H-CARBAZOLE;9-(3-bromopropyl)carbazole;N-(3-Bromopropyl)carbazole;KJSZNBRGRCCYHF-UHFFFAOYSA-N;9-(3-Bromopropyl)-9H-carbazole (ACI);N-(ω-Bromopropyl)carbazole;E78955;MFCD11164489;B5183;84359-61-5;SCHEMBL3223668;CS-0378065;DTXSID40444141;AS-76729;

标识符

MDL:
MFCD11164489
InChIKey:
KJSZNBRGRCCYHF-UHFFFAOYSA-N
Inchi:
1S/C15H14BrN/c16-10-5-11-17-14-8-3-1-6-12(14)13-7-2-4-9-15(13)17/h1-4,6-9H,5,10-11H2
SMILES:
BrCCCN1C2C(=CC=CC=2)C2C1=CC=CC=2

9-(3-溴丙基)-9H-咔唑(84359-61-5)物化性质

实验特性

  • 沸点 : 419.6±37.0 °C at 760 mmHg
  • 熔点 : 54.0 to 58.0 deg-C
  • 蒸气压 : 0.0±1.0 mmHg at 25°C
  • 闪点 : 207.6±26.5 °C
  • 密度 : 1.4±0.1 g/cm3

计算特性

  • 精确分子量 : 287.03096g/mol
  • 氢键供体数量 : 0
  • 氢键受体数量 : 0
  • 可旋转化学键数量 : 3
  • 同位素质量 : 287.03096g/mol
  • 重原子数量 : 17
  • 复杂度 : 233
  • 同位素原子数量 : 0
  • 确定原子立构中心数量 : 0
  • 不确定原子立构中心数量 : 0
  • 确定化学键立构中心数量 : 0
  • 不确定化学键立构中心数量 : 0
  • 共价键单元数量 : 1
  • 疏水参数计算参考值(XlogP) : 4.4
  • 拓扑分子极性表面积 : 4.9

9-(3-溴丙基)-9H-咔唑(84359-61-5)合成路线

合成路线:1 步
反应条件:
参考文献:
Structure-Activity Relationships at the Monoamine Transporters and σ Receptors for a Novel Series of 9-[3-(cis-3,5-Dimethyl-1-piperazinyl)- propyl]carbazole (Rimcazole) Analogues
Husbands, Stephen M.; et al, Journal of Medicinal Chemistry, 1999, 42(21), 4446-4455
合成路线:1 步
反应条件:
参考文献:
Azocarbazole Polymethacrylates as Single-Component Electrooptic Materials
Barrett, Christopher; et al, Macromolecules, 1998, 31(15), 4845-4851
合成路线:1 步
反应条件:
参考文献:
Hot-exciton harvesting via through-space single-molecule based white-light emission and optical waveguides
Barman, Debasish; et al, Chemical Science, 2022, 13(31), 9004-9015
合成路线:1 步
反应条件:
参考文献:
New classes of carbazoles as potential multi-functional anti-Alzheimer's agents
Choubdar, Niloufar; et al, Bioorganic Chemistry, 2019, 91,
合成路线:1 步
反应条件:
参考文献:
Photolytic Release of Carboxylic Acids Using Linked Donor-Acceptor Molecules: Direct versus Mediated Photoinduced Electron Transfer to N-Alkyl-4-picolinium Esters
Sundararajan, Chitra; et al, Organic Letters, 2005, 7(13), 2631-2634
合成路线:2 步
反应条件:
参考文献:
Structure-Activity Relationships at the Monoamine Transporters and σ Receptors for a Novel Series of 9-[3-(cis-3,5-Dimethyl-1-piperazinyl)- propyl]carbazole (Rimcazole) Analogues
Husbands, Stephen M.; et al, Journal of Medicinal Chemistry, 1999, 42(21), 4446-4455
合成路线:3 步
反应条件:
参考文献:
Structure-Activity Relationships at the Monoamine Transporters and σ Receptors for a Novel Series of 9-[3-(cis-3,5-Dimethyl-1-piperazinyl)- propyl]carbazole (Rimcazole) Analogues
Husbands, Stephen M.; et al, Journal of Medicinal Chemistry, 1999, 42(21), 4446-4455
合成路线:1 步
反应条件:
参考文献:
Combined phase transfer catalysis and ultrasound to enhance tandem alkylation of azo dyes
Li, Xiang; et al, Tetrahedron, 2002, 58(19), 3747-3753
合成路线:1 步
反应条件:
参考文献:
Design, synthesis and antifungal activity of carbazole derivatives
Zhu, Shi-Ping; et al, Chinese Chemical Letters, 2014, 25(2), 229-233

9-(3-溴丙基)-9H-咔唑(84359-61-5)相关文献

9-(3-溴丙基)-9H-咔唑(84359-61-5)参考资料

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