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4-溴-二苯甲酮 | 90-90-4

4-溴-二苯甲酮
4-Bromobenzophenone
90-90-4
C13H9BrO
261.113962888718
如需查看该化合物的详细结构式,mol文件,smile,InChi 请点击:4-溴-二苯甲酮结构式
7030
4-溴-二苯甲酮价格
名称和标识符
MDL MFCD00000103
InChIKey KEOLYBMGRQYQTN-UHFFFAOYSA-N
Inchi 1S/C13H9BrO/c14-12-8-6-11(7-9-12)13(15)10-4-2-1-3-5-10/h1-9H
SMILES O=C(C1C=CC(Br)=CC=1)C1C=CC=CC=1
BRN 1910182
别名信息
- 中文别名 -
  • 4-溴-二苯甲酮
  • 4-溴二苯甲酮
  • 4-Bromobenzophenone 4-溴二苯甲酮
  • 4-溴苯并苯基酮
  • 4-溴苯甲酮
  • 4-溴苯甲酰苯
  • 对溴二苯甲酮
- 英文别名 -
  • (4-Bromophenyl)(phenyl)methanone
  • 4-Bromobenzophenone
  • (4-bromophenyl)-phenylmethanone
  • p-Bromobenzophenone
  • Methanone, (4-bromophenyl)phenyl-
  • BENZOPHENONE, 4-BROMO-
  • p-Benzoylbromobenzene
  • USAF DO-3
  • 4-Bromophenyl phenyl ketone
  • (4-bromophenyl)-phenyl-methanone
  • KEOLYBMGRQYQTN-UHFFFAOYSA-N
  • NSC59863
  • 4-bromo-benzophenone
  • 4'-bromobenzophenone
  • 4-benzoylphenylbromide
  • WLN: ER DVR
  • 1-Benzoyl-4-bromobenzene
  • 4-Bromobe
  • (4-Bromophenyl)phenylmethanone (ACI)
  • Benzophenone, 4-bromo- (6CI, 7CI, 8CI)
  • 4-(Phenylcarbonyl)-1-bromobenzene
  • NSC 59863
  • Phenyl(4-bromophenyl)methanone
物化性质
实验特性
LogP 3.68010
PSA 17.07000
折射率 1.5130 (estimate)
水溶性 Insoluble in water but slightly soluble in other solvents such as ethanol, ether and benzene.
沸点 176°C/4mmHg(lit.)
熔点 80.0 to 83.0 deg-C
闪点 350°C
颜色与性状 白色至灰白色结晶粉末
密度 1.4245 (rough estimate)
计算特性
精确分子量 259.98400
氢键供体数量 0
氢键受体数量 1
可旋转化学键数量 2
同位素质量 259.983678
重原子数量 15
复杂度 213
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) 4.1
互变异构体数量
表面电荷 0
拓扑分子极性表面积 17.1
国际标准相关数据
EINECS 59863
海关数据
海关编码 2914700090
海关数据

中国海关编码:

2914700090

概述:

2914700090 其他酮及醌的卤化、磺化衍生物(包括硝化和亚硝化衍生物). 增值税率:17.0% 退税率:9.0% 监管条件:无 最惠国关税:5.5% 普通关税:30.0%

申报要素:

品名, 成分含量, 用途, 丙酮报明包装

Summary:

HS: 2914700090 halogenated, sulphonated, nitrated or nitrosated derivatives of ketones and quinones, whether or not with other oxygen function Tax rebate rate:9.0% Supervision conditions:none VAT:17.0% MFN tariff:5.5% General tariff:30.0%

合成路线

合成路线:1 步

反应条件:
参考文献:
Discovery of 1,1'-Biphenyl-4-sulfonamides as a New Class of Potent and Selective Carbonic Anhydrase XIV Inhibitors
La Regina, Giuseppe; Coluccia, Antonio; Famiglini, Valeria; Pelliccia, Sveva; Monti, Ludovica; et al, Journal of Medicinal Chemistry, 2015, 58(21), 8564-8572

合成路线:1 步

反应条件:
参考文献:
Ruthenium-Catalyzed Dehydrogenation of Alcohols with Carbodiimide via a Hydrogen Transfer Mechanism
Sueki, Shunsuke ; Matsuyama, Mizuki; Watanabe, Azumi; Kanemaki, Arata; Katakawa, Kazuaki ; et al, European Journal of Organic Chemistry, 2020, 2020(31), 4878-4885

合成路线:1 步

反应条件:
参考文献:
Green, transition-metal-free aerobic oxidation of alcohols using a highly durable supported organocatalyst
Karimi, Babak; Biglari, Abbass; Clark, James H.; Budarin, Vitaly, Angewandte Chemie, 2007, 46(38), 7210-7213

合成路线:1 步

反应条件:
参考文献:
Microwave-assisted solvent-free oxidation of hydrobenzoins, benzoins, and alcohols with NBS-Al2O3
Khurana, Jitender M.; Arora, Reema, ARKIVOC (Gainesville, 2008, (14), 211-215

合成路线:1 步

反应条件:
参考文献:
Fe-S Catalyst Generated In Situ from Fe(III)- and S3·--Promoted Aerobic Oxidation of Terminal Alkenes
Ai, Jing-Jing; Liu, Bei-Bei; Li, Jian; Wang, Fei; Huang, Cheng-Mi; et al, Organic Letters, 2021, 23(12), 4705-4709

合成路线:1 步

反应条件:
参考文献:
Oxidative coupling of α-bromoarylacetonitriles and oxidative decyanation of diarylacetonitriles catalyzed by solid-liquid phase transfer
Zhang, Xin; Hou, Xueling; Han, Fangbin; Ge, Zemei; Cheng, Tieming; et al, Journal of Chinese Pharmaceutical Sciences, 2012, 21(5), 409-415

合成路线:1 步

反应条件:
参考文献:
Carbonylative Hiyama coupling of aryl halides with arylsilanes under balloon pressure of CO
Chang, Sheng; Jin, Ying; Zhang, Xiu Rong; Sun, Yong Bing, Tetrahedron Letters, 2016, 57(19), 2017-2020

合成路线:1 步

反应条件:
参考文献:
Magnetically retrievable MFe2O4 spinel (M = Mn, Co, Cu, Ni, Zn) catalysts for oxidation of benzylic alcohols to carbonyls
Burange, Anand S.; Kale, Sandip R.; Zboril, Radek; Gawande, Manoj B.; Jayaram, Radha V., RSC Advances, 2014, 4(13), 6597-6601

合成路线:1 步

反应条件:
参考文献:
Phosphine-Borane Ligands Induce Chemoselective Activation and Catalytic Coupling of Acyl Chlorides at Palladium
Boudjelel, Maxime; Sadek, Omar ; Mallet-Ladeira, Sonia; Garcia-Rodeja, Yago; Sosa Carrizo, E. Daiann ; et al, ACS Catalysis, 2021, 11(7), 3822-3829

合成路线:1 步

反应条件:
参考文献:
Synthesis of structurally diverse diarylketones through the diarylmethyl sp3 C-H oxidation
He, Chao; Zhang, Xiaohui; Huang, Ruofeng; Pan, Jing; Li, Jiaqiang; et al, Tetrahedron Letters, 2014, 55(32), 4458-4462

合成路线:1 步

反应条件:
参考文献:
Microwave promoted palladium-catalyzed phenylation of aroyl chlorides with sodium tetraphenylborate
Wang, Jin-Xian; Wei, Bangguo; Hu, Yulai; Liu, Zhanxiang; Yang, Yihua, Synthetic Communications, 2001, 31(24), 3885-3890

合成路线:1 步

反应条件:
参考文献:
Microwave-assisted cross-coupling reaction of sodium tetraphenylborate with aroyl chlorides on palladium-doped KF/Al2O3
Wang, Jin-Xian; Yang, Yihua; Wei, Bangguo; Hu, Yulai; Fu, Ying, Bulletin of the Chemical Society of Japan, 2002, 75(6), 1381-1382

合成路线:1 步

反应条件:
参考文献:
Oxidation of benzylic alcohols to carbonyls using tert-butyl hydroperoxide over pure phase nanocrystalline CeCrO3
Burange, Anand S.; Jayaram, Radha V.; Shukla, Rakesh; Tyagi, Avesh K., Catalysis Communications, 2013, 40, 27-31

合成路线:1 步

反应条件:
参考文献:
Photocatalyst-free Light-driven Dehydrogenation of Alcohols into Carbonyl Compounds under Mild Conditions
Fan, Qiangwen ; Zhang, Honglei; Ren, Huijun; He, Yanling; Gu, Yuhang; et al, Chemistry - An Asian Journal, 2022, 17(17),

合成路线:1 步

反应条件:
参考文献:
Palladium-catalyzed desulfitative C-C cross-coupling reaction of (hetero)aryl thioesters and thioethers with arylsiloxanes
Mehta, Vaibhav Pravinchandra; Sharma, Anuj; Van der Eycken, Erik, Advanced Synthesis & Catalysis, 2008, 350, 2174-2178

合成路线:1 步

反应条件:
参考文献:
External Catalyst- and Additive-Free Photo-Oxidation of Aromatic Alcohols to Carboxylic Acids or Ketones Using Air/O2
Xu, Meng; Ou, Jinhua; Luo, Kejun; Liang, Rongtao; Liu, Jian; et al, Molecules, 2023, 28(7),

合成路线:1 步

反应条件:
参考文献:
Visible-Light Photocatalytic Highly Selective Oxidation of Alcohols into Carbonyl Compounds by CsPbBr3 Perovskite
Fan, Qiangwen ; Liu, Dawei; Xie, Zongbo; Le, Zhanggao; Zhu, Haibo ; et al, Journal of Organic Chemistry, 2023, 88(20), 14559-14570

合成路线:1 步

反应条件:
参考文献:
Photochemical Sandmeyer-type Halogenation of Arenediazonium Salts
Sivendran, Nardana ; Belitz, Florian; Sowa Prendes, Daniel; Manu Martinez, Angel; Schmid, Rochus ; et al, Chemistry - A European Journal, 2022, 28(9),

合成路线:1 步

反应条件:
参考文献:
Application of copper(II) Schiff base complex grafted in the silica network as efficient nanocatalyst in oxidation of alcohols
Eshtiagh-Hosseini, Hossein; Tabari, Taymaz; Eshghi, Hossein, Asian Journal of Chemistry, 2013, 25(6), 3307-3312

合成路线:1 步

反应条件:
参考文献:
A metal-free catalytic system for the oxidation of benzylic methylenes and primary amines under solvent-free conditions
Zhang, Jintang; Wang, Zhentao; Wang, Ye; Wan, Changfeng; Zheng, Xiaoqi; et al, Green Chemistry, 2009, 11(12), 1973-1978
相关文献
专业数据库参考
PubChemId 7030
参考资料
Reaxys RN 1910182
Beilstein 7(4)1378
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