91026-00-5 (N-苄基-2,3-二溴马来酰亚胺,1-Benzyl-3,4-dibromopyrrole-2,5-dione)

CAS号:
91026-00-5
中文名称:
N-苄基-2,3-二溴马来酰亚胺
英文名称:
1-Benzyl-3,4-dibromopyrrole-2,5-dione
安全信息:
分子式:
C11H7Br2NO2
分子量:
344.986781358719

N-苄基-2,3-二溴马来酰亚胺(91026-00-5)名称与标识符

名称

中文别名:
N-苯甲基-2,3-二溴马来酰亚胺;N-苄基-2,3-二溴马来酰亚胺;1-苄基-3,4-二溴-吡咯-2,5-二酮;
英文别名:
1H-Pyrrole-2,5-dione,3,4-dibromo-1-(phenylmethyl)-;1-benzyl-3,4-dibromo-1H-pyrrole-2,5-dione;1-benzyl-3,4-dibromopyrrole-2,5-dione;N-BENZYL-2,3-DIBROMMALEIMID;N-Benzyl-2,3-dibroMoMaleiMide;3,4-Dibromo-1-(phenylmethyl)-1H-pyrrole-2,5-dione (ACI);1-Benzyl-3,4-dibromo-2,5-dihydro-1H-pyrrole-2,5-dione;91026-00-5;1H-Pyrrole-2,5-dione, 3,4-dibromo-1-(phenylmethyl)-;DZYLZHRCCNTQCS-UHFFFAOYSA-N;MFCD03427193;N-BENZYL-2 3-DIBROMOMALEIMIDE 97;CS-0035450;N-BENZYL-2,3-DIBROMOMALEIMIDE, 97%;AS-39476;DTXSID80392657;AKOS015889375;SCHEMBL3065646;DA-01160;N-Benzyl-2,3-dibromomaleimide,97%;

标识符

MDL:
MFCD03427193
InChIKey:
DZYLZHRCCNTQCS-UHFFFAOYSA-N
Inchi:
1S/C11H7Br2NO2/c12-8-9(13)11(16)14(10(8)15)6-7-4-2-1-3-5-7/h1-5H,6H2
SMILES:
O=C1N(CC2C=CC=CC=2)C(=O)C(Br)=C1Br

N-苄基-2,3-二溴马来酰亚胺(91026-00-5)物化性质

实验特性

  • LogP : 2.49470
  • PSA : 37.38000
  • 熔点 : 117-120 °C (lit.)
  • 颜色与性状 : 浅黄色晶体

计算特性

  • 精确分子量 : 344.882
  • 氢键供体数量 : 0
  • 氢键受体数量 : 3
  • 可旋转化学键数量 : 2
  • 同位素质量 : 342.884
  • 重原子数量 : 16
  • 复杂度 : 335
  • 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) : 2.8
  • 互变异构体数量 : 无
  • 表面电荷 : 0
  • 拓扑分子极性表面积 : 37.4A^2

N-苄基-2,3-二溴马来酰亚胺(91026-00-5)安全信息

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N-苄基-2,3-二溴马来酰亚胺(91026-00-5)合成路线

合成路线:1 步
反应条件:
参考文献:
Synthesis of substituted bis(heteroaryl)maleimides
Dubernet, Mathieu; Caubert, Virginie; Guillard, Jerome; Viaud-Massuard, Marie-Claude, Tetrahedron, 2005, 61(19), 4585-4593
合成路线:1 步
反应条件:
参考文献:
A mild synthesis of N-functionalised bromomaleimides, thiomaleimides and bromopyridazinediones
Castaneda, Lourdes; Wright, Zoe V. F.; Marculescu, Cristina; Tran, Trang M.; Chudasama, Vijay; et al, Tetrahedron Letters, 2013, 54(27), 3493-3495
合成路线:1 步
反应条件:
参考文献:
Total synthesis of (±)-camphorataimides and (±)-himanimides by NaBH4/Ni(OAc)2 or Zn/AcOH stereoselective reduction
Cheng, Chia-Fu; Lai, Zhen-Chang; Lee, Yean-Jang, Tetrahedron, 2008, 64(19), 4347-4353
合成路线:1 步
反应条件:
参考文献:
Synthesis and biological evaluation of new 3,4-diarylmaleimides as enhancers (modulators) of doxorubicin cytotoxic activity on cultured tumor cells from a real case of breast cancer
Gutierrez-Cano, Jessica R.; Nahide, Pradip D.; Ramadoss, Velayudham; Satkar, Yuvraj; Ortiz-Alvarado, Rafael; et al, Journal of the Mexican Chemical Society, 2017, 61(1), 41-49
合成路线:1 步
反应条件:
参考文献:
Synthesis and biological evaluation of maleimide derivatives for neuronal differentiation
Ramu, Ravirala; Kim, Se Hoan; Kang, Seung Kyu; Kang, Nam Sook; Ahn, Jin Hee; et al, Journal of the Korean Chemical Society, 2009, 53(4), 471-475
合成路线:1 步
反应条件:
参考文献:
Synthesis of the aromatic and monosaccharide moieties of staurosporine
Joyce, Richard P.; Gainor, James A.; Weinreb, Steven M., Journal of Organic Chemistry, 1987, 52(7), 1177-85
合成路线:1 步
反应条件:
参考文献:
Mechanochemical Fluorescence Switching in Polymers Containing Dithiomaleimide Moieties
Karman, Marc; Verde-Sesto, Ester; Weder, Christoph ; Simon, Yoan C., ACS Macro Letters, 2018, 7(9), 1099-1104
合成路线:1 步
反应条件:
参考文献:
Maleimide-based acyclic enediyne for efficient DNA-cleavage and tumor cell suppression
Song, Depeng; Sun, Shiyuan; Tian, Yu; Huang, Shuai; Ding, Yun; et al, Journal of Materials Chemistry B: Materials for Biology and Medicine, 2015, 3(16), 3195-3200
合成路线:1 步
反应条件:
参考文献:
A Simple Mechanochromic Mechanophore Based on Aminothiomaleimide
Tan, Min; Hu, Zhitao; Dai, Yunkai; Peng, Yanling; Zhou, Yecheng ; et al, ACS Macro Letters, 2021, 10(11), 1423-1428
合成路线:1 步
反应条件:
参考文献:
Scalable preparation of stable and reusable silica supported palladium nanoparticles as catalysts for N-alkylation of amines with alcohols
Alshammari, Ahmad S.; Natte, Kishore; Kalevaru, Narayana V. ; Bagabas, Abdulaziz; Jagadeesh, Rajenahally V., Journal of Catalysis, 2020, 382, 141-149
合成路线:1 步
反应条件:
参考文献:
Development of antiproliferative phenylmaleimides that activate the unfolded protein response
Muus, Ulrike; Hose, Curtis; Yao, Wei; Kosakowska-Cholody, Teresa; Farnsworth, David; et al, Bioorganic & Medicinal Chemistry, 2010, 18(12), 4535-4541
合成路线:1 步
反应条件:
参考文献:
Preparation of conjugated polyphenylenes from maleimide-based enediynes through thermal-triggered Bergman cyclization polymerization
Sun, Shiyuan; Zhu, Chuanchuan; Song, Depeng; Li, Fei; Hu, Aiguo, Polymer Chemistry, 2014, 5(4), 1241-1247
合成路线:1 步
参考文献:
Product class 2: Triacylamines, imides (diacylamines), and related compounds
Luzzio, F. A., Science of Synthesis, 2005, 21, 259-324