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二苯甲基哌嗪 | 841-77-0

二苯甲基哌嗪
1-(diphenylmethyl)piperazine
841-77-0
C17H20N2
252.354104042053
如需查看该化合物的详细结构式,mol文件,smile,InChi 请点击:二苯甲基哌嗪结构式
70048
二苯甲基哌嗪价格
名称和标识符
MDL MFCD00038379
InChIKey NWVNXDKZIQLBNM-UHFFFAOYSA-N
Inchi 1S/C17H20N2/c1-3-7-15(8-4-1)17(16-9-5-2-6-10-16)19-13-11-18-12-14-19/h1-10,17-18H,11-14H2
SMILES C1C=CC(C(N2CCNCC2)C2C=CC=CC=2)=CC=1
BRN 0222773
别名信息
- 中文别名 -
  • 二苯甲基哌嗪
  • 1-二苯甲基哌嗪
  • 1-(二苯基甲基)哌嗪
  • 1-Benzhydrylpiperazine 1-二苯甲基哌嗪
  • N-二苯甲基哌嗪
  • 肉桂苯哌嗪杂质A(EP) 标准品
  • 二苯甲基吗啉
  • 盐酸左西替利嗪SM杂质1
  • 1-(二苯基甲基)哌嗪
  • 1-(二苯基甲基)哌嗪
- 英文别名 -
  • 1-Benzhydrylpiperazine
  • Benzhydrylpiperazine
  • N-(Diphenylmethyl)piperazine
  • 1-(Diphenylmethyl)piperazine
  • 1-Benzhydryl-piperazine
  • N-Benzhydrylpiperazine
  • Diphenylmethylpiperazine
  • Norcyclizine
  • Normethylcyclizine
  • Piperazine, 1-(diphenylmethyl)-
  • 4-Benzhydrylpiperazine
  • benzhydryl piperazine
  • (diphenylmethyl)piperazine
  • 1-(diphenylmethyl) piperazine
  • NWVNXDKZIQLBNM-UHFFFAOYSA-N
  • CINNARIZINE IMPURITY A
  • benzhydrylpiperazin
  • 1-benzh
  • Cetirizine SM impurity 1 HCl
  • 1-(Diphenylmethyl)piperazine (ACI)
  • 4-(Diphenylmethyl)piperazine
  • NSC 35536
  • 1-(diphenylmethyl)-piperazin
  • Cinnarizine Imp. A (EP): 1-(Diphenylmethyl)piperazine
物化性质
实验特性
LogP 2.94790
PSA 15.27000
折射率 1.5794 (estimate)
水溶性 0.45 g/L (20 ºC)
沸点 185°C/2mmHg(lit.)
熔点 91.0 to 95.0 deg-C
闪点 115 ºC
颜色与性状 Powder
溶解性 水溶解性0.45 g/L (20 ºC)
敏感性 Air Sensitive
密度 1.0546 (rough estimate)
计算特性
精确分子量 252.16300
氢键供体数量 1
氢键受体数量 2
可旋转化学键数量 3
同位素质量 252.163
重原子数量 19
复杂度 230
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
表面电荷 0
拓扑分子极性表面积 15.3
国际标准相关数据
EINECS 35536
海关数据
海关编码 2942000000
海关数据

中国海关编码:

2933599090

概述:

2933599090. 其他结构上有嘧啶环的化合物(包括其他结构上有哌嗪环的化合物. 增值税率:17.0%. 退税率:13.0%. 监管条件:无. 最惠国关税:6.5%. 普通关税:20.0%

申报要素:

品名, 成分含量, 用途, 乌洛托品请注明外观, 6-己内酰胺请注明外观, 签约日期

Summary:

2933599090. other compounds containing a pyrimidine ring (whether or not hydrogenated) or piperazine ring in the structure. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%

合成路线

合成路线:1 步

反应条件:
参考文献:
Synthesis and pharmacological evaluation of 1-benzhydryl piperazine derivatives
Thakran, Atul Kumar; Gupta, Sushil; Kumari, Shilpa; Mourya, Abhay Kumar; Alok, Shashi, International Journal of Pharmaceutical Sciences and Research, 2012, 3(1), 213-217

合成路线:1 步

反应条件:
参考文献:
Repurposing the Antihistamine Terfenadine for Antimicrobial Activity against Staphylococcus aureus
Perlmutter, Jessamyn I.; Forbes, Lauren T.; Krysan, Damian J.; Ebsworth-Mojica, Katherine; Colquhoun, Jennifer M.; et al, Journal of Medicinal Chemistry, 2014, 57(20), 8540-8562

合成路线:1 步

反应条件:
参考文献:
Synthesis and anti-convulsant activity of novel benzhydryl piperazine derivatives
Singh, Kuldeep; Shakya, Ashok K.; Alok, Shashi; Naik, Rajashri R.; Kumar, Arun, International Journal of Pharmaceutical Sciences and Research, 2022, 13(4), 1777-1784

合成路线:1 步

反应条件:
参考文献:
A Novel Synthetic Approach to Diarylmethylpiperazine Drugs
Yu, Tian; Dong, Hongbo; Shi, Zheng; Cheng, Lijia; Guo, Xiaoheng; et al, Letters in Organic Chemistry, 2018, 15(6), 485-490

合成路线:1 步

反应条件:
参考文献:
Synthesis of Heterocyclic Nitrogen Derivatives
Wacht, Elisabeth, 1993, , ,

合成路线:1 步

反应条件:
参考文献:
Stereoselective synthesis of (Z)-1-benzhydryl-4-cinnamylpiperazines via the Wittig reaction
Shivprakash, S.; Reddy, G. Chandrasekara, Synthetic Communications, 2014, 44(5), 600-609

合成路线:1 步

参考文献:
Preparation of 1-benzhydrylpiperazine
, German Democratic Republic, , ,

合成路线:1 步

反应条件:
参考文献:
A simple blue fluorescent probe to detect Hg2+ in semiaqueous environment by intramolecular charge transfer mechanism
Srivastava, Priyanka; Ali, Rashid; Razi, Syed S.; Shahid, Mohammad; Patnaik, Satyakam; et al, Tetrahedron Letters, 2013, 54(28), 3688-3693

合成路线:1 步

反应条件:
参考文献:
Regioselective Synthesis, Antibacterial, Molecular Docking and Fingerprint Applications of 1-Benzhydrylpiperazine Derivatized 1,4-Disubstituted 1,2,3-Triazoles
Govindaiah, Shivaraja; Sreenivasa, Swamy ; Ramakrishna, Ramesha Andagar; Rao, Tadimety Madhu Chakrapani; Nagabhushana, Hanumanthappa, ChemistrySelect, 2018, 3(28), 8111-8117

合成路线:1 步

反应条件:
参考文献:
Palladium-catalyzed selective oxidative amination of olefins with Lewis basic amines
Jin, Yangbin; Jing, Yaru; Li, Chunsheng; Li, Meng; Wu, Wanqing ; et al, Nature Chemistry, 2022, 14(10), 1118-1125

合成路线:1 步

反应条件:
参考文献:
Selective Naked-Eye Detection of Hg2+ through an Efficient Turn-On Photoinduced Electron Transfer Fluorescent Probe and Its Real Applications
Srivastava, Priyanka; Razi, Syed S.; Ali, Rashid; Gupta, Ramesh C.; Yadav, Suresh S.; et al, Analytical Chemistry (Washington, 2014, 86(17), 8693-8699

合成路线:1 步

反应条件:
参考文献:
Continuous-Flow Multistep Synthesis of Cinnarizine, Cyclizine, and a Buclizine Derivative from Bulk Alcohols
Borukhova, Svetlana; Noel, Timothy; Hessel, Volker, ChemSusChem, 2016, 9(1), 67-74

合成路线:1 步

反应条件:
参考文献:
Tricyclic analogs of the antiallergic agent oxatomide: 1-[3-[4-(10,11-dihydro-5H-dibenzo[a,d]cyclohepten-5-yl)-1-piperazinyl]propyl]-1,3-dihydro-2H-benzimidazol-2-one and the related 6,11-dihydrodibenzo[b,e]thiepin, 4,9-dihydrothieno[2,3-c]-2-benzothiepin, and 10,11-dihydrodibenzo[b,f]thiepin derivatives
Jilek, Jiri; Holubek, Jiri; Svatek, Emil; Metys, Jan; Frycova, Hana; et al, Collection of Czechoslovak Chemical Communications, 1988, 53(4), 870-83
相关文献
专业数据库参考
PubChemId 70048
参考资料
Reaxys RN 222773
Beilstein MFCD00038379
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