938-87-4 ((2-methyl-1-phenylbutan-1-one)

CAS号:
938-87-4
英文名称:
2-methyl-1-phenylbutan-1-one
分子式:
C11H14O
分子量:
162.228263378143

2-methyl-1-phenylbutan-1-one(938-87-4)名称与标识符

名称

英文别名:
2-methyl-1-phenylbutan-1-one;1-Phenyl-2-methyl-1-butanone;(+-)-2-methyl-1-phenyl-butanone-(1);1-Butanone,2-methyl-1-phenyl;2-Methyl-1-phenyl-1-butanone;2-Methyl-1-phenyl-butan-1-on;2-methyl-1-phenyl-butan-1-one;rac-2-methyl butyrophenone;s-butyl phenyl ketone;sec-butyl phenyl ketone;2-Methyl-1-phenyl-1-butanone (ACI);Butyrophenone, 2-methyl- (6CI, 7CI, 8CI);(+)-2-Methyl-1-phenyl-butan-1-one;1-Methylpropyl phenyl ketone;2-Butyl phenyl ketone;2-Methylbutyrophenone;NSC 402231;

标识符

InChIKey:
DGZJLMWKIQOQFA-UHFFFAOYSA-N
Inchi:
1S/C11H14O/c1-3-9(2)11(12)10-7-5-4-6-8-10/h4-9H,3H2,1-2H3
SMILES:
O=C(C(CC)C)C1C=CC=CC=1

2-methyl-1-phenylbutan-1-one(938-87-4)物化性质

实验特性

  • LogP : 2.91540
  • PSA : 17.07000

计算特性

  • 精确分子量 : 162.10400
  • 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 : 162.104465066 g/mol
  • 重原子数量 : 12
  • 复杂度 : 145
  • 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 : 1
  • 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) : 3.1
  • 拓扑分子极性表面积 : 17.1Ų
  • 分子量 : 162.23

2-methyl-1-phenylbutan-1-one(938-87-4)海关数据

海关编码:
2914399090
海关数据:

中国海关编码:

2914399090

概述:

2914399090. 其他不含其他含氧基的芳香酮. 增值税率:17.0%. 退税率:13.0%. 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:

2914399090. other aromatic ketones without other oxygen function. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:5.5%. General tariff:30.0%

2-methyl-1-phenylbutan-1-one(938-87-4)推荐厂家 更多厂家(1)

公司名称手机号/电话联系人QQ微信询单
上海楷森生物科技有限公司 17558870519
175-58870519
赵经理
询单

2-methyl-1-phenylbutan-1-one(938-87-4)合成路线

合成路线:1 步
反应条件:
参考文献:
Iron-Catalyzed Methylation Using the Borrowing Hydrogen Approach
Polidano, Kurt; Allen, Benjamin D. W.; Williams, Jonathan M. J.; Morrill, Louis C., ACS Catalysis, 2018, 8(7), 6440-6445
合成路线:1 步
反应条件:
参考文献:
CpRu(PN) Complex-Catalyzed Isomerization of Allylic Alcohols and Its Application to the Asymmetric Synthesis of Muscone
Ito, Masato; Kitahara, Sachiko; Ikariya, Takao, Journal of the American Chemical Society, 2005, 127(17), 6172-6173
合成路线:1 步
反应条件:
参考文献:
Palladium-catalyzed synthesis of aryl ketones from boronic acids and carboxylic acids or anhydrides
Goossen, Lukas J.; Ghosh, K., Angewandte Chemie, 2001, 40(18), 3458-3460
合成路线:1 步
反应条件:
参考文献:
The transition metal catalysed isomerisation of allylic alkoxides
Gazzard, Lewis John, 1995, , ,
合成路线:1 步
反应条件:
参考文献:
A Convenient Ruthenium-Catalyzed α-Methylation of Carbonyl Compounds using Methanol
Dang, Tuan Thanh; Seayad, Abdul Majeed, Advanced Synthesis & Catalysis, 2016, 358(21), 3373-3380
合成路线:1 步
反应条件:
参考文献:
Direct Easy Synthesis of Ketones from Carboxylic Acids and Chlorinated Compounds
Alonso, Francisco; Lorenzo, Emilio; Yus, Miguel, Journal of Organic Chemistry, 1996, 61(17), 6058-6059
合成路线:1 步
反应条件:
参考文献:
Direct Formation of Secondary and Tertiary Alkylzinc Bromides and Subsequent Cu(I)-Mediated Couplings
Rieke, Reuben D.; Hanson, Mark V.; Brown, Jeffrey D.; Niu, Q. Jason, Journal of Organic Chemistry, 1996, 61(8), 2726-30
合成路线:1 步
反应条件:
参考文献:
Direct formation of secondary and tertiary alkylzinc bromides
Hanson, Mark V.; Brown, Jeff D.; Rieke, Reuben D.; Niu, Q. Jason, Tetrahedron Letters, 1994, 35(39), 7205-8
合成路线:1 步
反应条件:
参考文献:
Organocuprates containing dimethyl sulfoxide anion as a nontransferable ligand
Johnson, Carl R.; Dhanoa, Daljit S., Journal of Organic Chemistry, 1987, 52(10), 1885-8
合成路线:1 步
反应条件:
参考文献:
Methylation of C(sp3)-H/C(sp2)-H Bonds with Methanol Catalyzed by Cobalt System
Liu, Zhenghui; Yang, Zhenzhen; Yu, Xiaoxiao; Zhang, Hongye; Yu, Bo; et al, Organic Letters, 2017, 19(19), 5228-5231
合成路线:1 步
反应条件:
参考文献:
Synthesis of 2-methyl-2-hydroxy-1-phenyl-1-butanone
Hu, Ying-xi; Zhao, Shi-wei; Fan, Li-chang, Huaxue Shijie, 2008, 49(5), 290-292
合成路线:1 步
反应条件:
参考文献:
Utilization of MeOH as a C1 Building Block in Tandem Three-Component Coupling Reaction
Chakrabarti, Kaushik; Maji, Milan; Panja, Dibyajyoti; Paul, Bhaskar; Shee, Sujan; et al, Organic Letters, 2017, 19(18), 4750-4753
合成路线:1 步
反应条件:
参考文献:
Iridium-catalyzed selective α-methylation of ketones with methanol
Ogawa, Shinji; Obora, Yasushi, Chemical Communications (Cambridge, 2014, 50(19), 2491-2493
合成路线:1 步
反应条件:
参考文献:
Palladium-Catalyzed Synthesis of α-Methyl Ketones from Allylic Alcohols and Methanol
Biswal, Priyabrata; Samser, Shaikh; Meher, Sushanta Kumar; Chandrasekhar, Vadapalli; Venkatasubbaiah, Krishnan, Advanced Synthesis & Catalysis, 2022, 364(2), 413-419
合成路线:1 步
反应条件:
参考文献:
Palladacycle-Phosphine Catalyzed Methylation of Amines and Ketones Using Methanol
Mamidala, Ramesh ; Biswal, Priyabrata; Subramani, M. Siva; Samser, Shaikh ; Venkatasubbaiah, Krishnan, Journal of Organic Chemistry, 2019, 84(16), 10472-10480
合成路线:1 步
反应条件:
参考文献:
Chiral Bronsted Acid from a Cationic Gold(I) Complex: Catalytic Enantioselective Protonation of Silyl Enol Ethers of Ketones
Cheon, Cheol Hong; Kanno, Osamu; Toste, F. Dean, Journal of the American Chemical Society, 2011, 133(34), 13248-13251
合成路线:1 步
反应条件:
参考文献:
Catalytic C1 Alkylation with Methanol and Isotope-Labeled Methanol
Sklyaruk, Jan; Borghs, Jannik C.; El-Sepelgy, Osama; Rueping, Magnus, Angewandte Chemie, 2019, 58(3), 775-779
合成路线:1 步
参考文献:
Convenient ketone synthesis via N-acylaziridines
Wattanasin, S.; Kathawala, F. G., Tetrahedron Letters, 1984, 25(8), 811-14
合成路线:1 步
反应条件:
参考文献:
α-Methylation of Ketones with Methanol Catalyzed by Ni/SiO2-Al2O3
Charvieux, Aubin; Duguet, Nicolas ; Metay, Estelle, European Journal of Organic Chemistry, 2019, 2019(22), 3694-3698
合成路线:1 步
反应条件:
参考文献:
N-tert-Butyldimethylsilyl imines as intermediates for the synthesis of amines and ketones
Ortiz-Marciales, Margarita; Tirado, Liz M.; Colon, Roberto; Ufret, Maria L.; Figueroa, Ruth; et al, Synthetic Communications, 1998, 28(21), 4067-4075

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