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苄基 苯基 醚 | 946-80-5

苄基 苯基 醚
Benzyl phenyl ether
946-80-5
C13H12O
184.233783721924
如需查看该化合物的详细结构式,mol文件,smile,InChi 请点击:苄基 苯基 醚结构式
70352
苄基 苯基 醚价格
名称和标识符
MDL MFCD00020660
InChIKey BOTNYLSAWDQNEX-UHFFFAOYSA-N
Inchi 1S/C13H12O/c1-3-7-12(8-4-1)11-14-13-9-5-2-6-10-13/h1-10H,11H2
SMILES O(CC1C=CC=CC=1)C1C=CC=CC=1
BRN 2045713
别名信息
- 中文别名 -
  • 苄基 苯基 醚
  • Benzyl Phenyl Ether 苄基苯基醚
  • 苯基苄基醚
  • 苄基苯基醚
- 英文别名 -
  • (Benzyloxy)benzene
  • Benzyl Phenyl Ether
  • Benzyloxybenzene
  • Phenyl benzyl ether
  • Benzene, (phenoxymethyl)-
  • Ether, benzyl phenyl
  • benzyloxy-benzene
  • BENZYLPHENYLETHER
  • .alpha.-Phenylanisole
  • Anisole, .alpha.-phenyl-
  • Benzyl phenyl ether, 98%
  • BUE863N0L8
  • BOTNYLSAWDQNEX-UHFFFAOYSA-N
  • (phenylmethoxy)benzene
  • phenoxymethylbenzene
  • alpha-Phenylanisole
  • Anisole, alpha-phenyl-
  • benzylphenyl ether
  • phenylmethoxybenzene
  • Benzene, (phenoxymethyl)- (9CI)
  • (Phenoxymethyl)-benzene
  • (Phenoxymethyl)benzene (ACI)
  • Ether, benzyl phenyl (6CI, 7CI, 8CI)
  • Anisole, α-phenyl-
  • Benzyl phenyl ether
  • NSC 77971
物化性质
实验特性
LogP 3.26560
PSA 9.23000
折射率 1.5641 (estimate)
水溶性 Insoluble in water.
沸点 288°C(lit.)
熔点 38.0 to 42.0 deg-C
闪点 华氏:235.4 °F
摄氏:113 °C
颜色与性状 淡 棕色-橙色 大块
溶解性 未确定
密度 1.0120 (rough estimate)
计算特性
精确分子量 184.08900
氢键供体数量 0
氢键受体数量 1
可旋转化学键数量 3
同位素质量 184.088815
重原子数量 14
复杂度 143
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) 3.8
互变异构体数量
表面电荷 0
拓扑分子极性表面积 9.2
国际标准相关数据
EINECS 77971
海关数据
海关编码 2909309090
海关数据

中国海关编码:

2909309090

概述:

2909309090 其他芳香醚及其卤化衍生物、磺化、硝化衍生物(包括亚硝化衍生物)。监管条件:无。增值税率:17.0%。退税率:9.0%。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

Summary:

2909309090 other aromatic ethers and their halogenated, sulphonated, nitrated or nitrosated derivatives VAT:17.0% Tax rebate rate:9.0% Supervision conditions:none 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:
Ionic liquids as reagent and reaction medium. Preparation of alkyl aryl ethers
Mohanazadeh, Farajollah; Aghvami, Majid, Monatshefte fuer Chemie, 2007, 138(1), 47-49

合成路线:1 步

反应条件:
参考文献:
Metalation and formation of carbanions in a hexametapol medium. II. Anions containing heteroatoms (O,S,N)
Normant, Henri; Cuvigny, Therese, Bulletin de la Societe Chimique de France, 1965, (6), 1866-72

合成路线:1 步

反应条件:
参考文献:
Catalytic ability of octopus-type calixarene in the formation of ethers from phenols and alkyl halides or 1-chloro-4-nitrobenzene
Taniguchi, Hisaji; Otsuji, Yoshio; Nomura, Eisaku, Bulletin of the Chemical Society of Japan, 1995, 68(12), 3563-7

合成路线:1 步

反应条件:
参考文献:
O-Alkylation of phenol and N-alkylation of amides or imides under the synergistic effect of KF-alumina by catalysis of TBHPAS
Zhang, Chuan-xin; Si, Wan-ling; Guo, Rao-guo; Liu, Zhen-zhong, Shangqiu Shifan Xueyuan Xuebao, 2001, 17(4), 73-76

合成路线:1 步

反应条件:
参考文献:
An alternative route for boron phenoxide preparation from arylboronic acid and its application for C-O bond formation
Joo, Seong-Ryu; Lim, In-Kyun; Kim, Seung-Hoi, Tetrahedron Letters, 2020, 61(34),

合成路线:1 步

反应条件:
参考文献:
Oligomeric Benzylsulfonium Salts: Facile Benzylation via High-Load ROMP Reagents
Zhang, Mianji; Flynn, Daniel L.; Hanson, Paul R., Journal of Organic Chemistry, 2007, 72(9), 3194-3198

合成路线:1 步

反应条件:
参考文献:
Tetrabutylammonium bromide-mediated benzylation of phenols in water under mild condition
Wang, Hailei; Ma, Yuping; Tian, Heng; Yu, Ajuan; Chang, Junbiao; et al, Tetrahedron, 2014, 70(16), 2669-2673

合成路线:1 步

反应条件:
参考文献:
Electrochemical Hydroxylation of Electron-Rich Arenes in Continuous Flow
Kooli, Anni ; Wesenberg, Lars ; Beslac, Marko; Krech, Anastasiya ; Lopp, Margus ; et al, European Journal of Organic Chemistry, 2022, 2022(20),

合成路线:1 步

反应条件:
参考文献:
Modular microreaction systems for homogeneously and heterogeneously catalyzed chemical synthesis
Snyder, Daniel A.; Noti, Christian; Seeberger, Peter H.; Schael, Frank; Bieber, Thomas; et al, Helvetica Chimica Acta, 2005, 88(1), 1-9

合成路线:1 步

反应条件:
参考文献:
Nickel-catalyzed C-O bond reduction of aryl and benzyl 2-pyridyl ethers
Li, Jing; Wang, Zhong-Xia, Chemical Communications (Cambridge, 2018, 54(17), 2138-2141

合成路线:1 步

反应条件:
参考文献:
Protecting group-free use of alcohols as carbon electrophiles in atom efficient aluminium triflate-catalyzed dehydrative nucleophilic displacement reactions
Cullen, Adam; Muller, Alfred J.; Williams, D. Bradley G., RSC Advances, 2017, 7(67), 42168-42171

合成路线:1 步

反应条件:
参考文献:
Copper-catalyzed etherification of aryl iodides using KF/Al2O3. An improved protocol
Hosseinzadeh, Rahman; Tajbakhsh, Mahmood; Mohadjerani, Maryam; Alikarami, Mohammad, Synlett, 2005, (7), 1101-1104

合成路线:1 步

反应条件:
参考文献:
Heterogeneous phase alkylation of phenols making use of phase transfer catalysis and microwave irradiation
Keglevich, Gyorgy; Balint, Erika; Karsai, Eva; Varga, Judit; Grun, Alajos; et al, Letters in Organic Chemistry, 2009, 6(7), 535-539

合成路线:1 步

反应条件:
参考文献:
Catalytic activity of an octopus-type calixarene on the formation of ethers
Taniguchi, Hisaji; Nomura, Eisaku, Chemistry Letters, 1988, (10), 1773-6

合成路线:1 步

反应条件:
参考文献:
Organic carbonates: sustainable and environmentally-friendly ethylation, allylation, and benzylation reagents
Kreye, Oliver; Over, Lena Charlotte; Nitsche, Tobias; Lange, Ralph Z.; Meier, Michael A. R., Tetrahedron, 2015, 71(2), 293-300

合成路线:1 步

反应条件:
参考文献:
2-Methyltetrahydrofuran as an alternative to dichloromethane in 2-phase reactions
Ripin, David H. Brown; Vetelino, Michael, Synlett, 2003, (15),

合成路线:1 步

反应条件:
参考文献:
Catalytic investigations of calix[4]arene scaffold based phase transfer catalyst
Srivastava, Pallavi; Srivastava, Rajendra, Tetrahedron Letters, 2007, 48(26), 4489-4493

合成路线:1 步

反应条件:
参考文献:
Solid-liquid phase transfer catalysis without solvent: further improvement in SNAr reactions
Loupy, Andre; Philippon, Noelle; Pigeon, Philippe; Sansoulet, Jean; Galons, Herve, Synthetic Communications, 1990, 20(18), 2855-64

合成路线:1 步

反应条件:
参考文献:
Preparation of 4-(3-(hydroxymethyl)phenoxy)benzonitrile as crisaborole impurity and its application in the dehalogenation of aromatic compounds
, China, , ,

合成路线:1 步

反应条件:
参考文献:
Masked N-Heterocyclic Carbene-Catalyzed Alkylation of Phenols with Organic Carbonates
Lui, Matthew Y. ; Yuen, Alexander K. L.; Masters, Anthony F.; Maschmeyer, Thomas, ChemSusChem, 2016, 9(17), 2312-2316
相关文献
专业数据库参考
PubChemId 70352
参考资料
Reaxys RN 2045713
化合物详情(旧版)

SMILES

C1=CC=C(C=C1)COC2=CC=CC=C2

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