940-61-4 (反-对甲基肉桂酸,3-(4-methylphenyl)prop-2-enoic acid)

CAS号:
940-61-4
中文名称:
反-对甲基肉桂酸
英文名称:
3-(4-methylphenyl)prop-2-enoic acid
分子式:
C10H10O2
分子量:
162.185203075409
相关分类:

反-对甲基肉桂酸(940-61-4)名称与标识符

名称

中文别名:
对甲基肉桂酸;反-对甲基肉桂酸;(E)-3-(对甲苯基)丙烯酸;
英文别名:
(E)-3-(p-Tolyl)acrylic acid;(2E)-3-(4-Methylphenyl)acrylic acid;(E)-3-(4-Methylphenyl)-2-propenoic acid;2-Propenoic acid, 3-(4-methylphenyl)-, (E)-;trans-p-Methylcinnamic acid;(2E)-3-(4-methylphenyl)acrylic acid(SALTDATA: FREE);4-Methylcinnamic acid;(2E)-3-(4-Methylphenyl)-2-propenoic acid (ACI);2-Propenoic acid, 3-(4-methylphenyl)-, (E)- (ZCI);Cinnamic acid, p-methyl-, (E)- (8CI);(2E)-(4-Methylphenyl)-2-propenoic acid;(E)-3-(4-Methylphenyl)acrylic acid;(E)-3-(4-Tolyl)acrylic acid;(E)-3-(p-Tolyl)-2-propenoic acid;(E)-3-p-Tolylacrylic acid;(E)-p-Methylcinnamic acid;E-4-Methylcinnamic acid;3-(4-methylphenyl)prop-2-enoic acid;CS-0166798;(E)-3-(p-Tolyl)acrylic acid; (2E)-3-(4-methylphenyl)prop-2-enoic acid;AE-641/00135025;(2E)-3-(4-Methylphenyl)-2-propenoic acid #;HMS1408G02;NSC-66272;(2E)-3-(4-methylphenyl)prop-2-enoic acid;(E)-3-(4-methylphenyl)prop-2-enoic acid;STK057700;2-Propenoic acid, 3-(4-methylphenyl)-, (2E)-;ALBB-011725;PS-4043;940-61-4;2-Propenoic acid, 3-(4-methylphenyl)-;NoName_95;(E)-3-(p-Tolyl)acrylicacid;NSC66272;NSC98546;AS-11993;DB-189629;IDI1_007649;M0715;p-Methylcinnamic acid;NSC-98545;NS00045822;CHEMBL450836;AKOS000263781;NSC98545;J-650090;3-(p-Tolyl)acrylic acid;CS-W016115;4-Methylcinnamic acid, predominantly trans;PD158319;Q63399423;MFCD00002697;1866-39-3;AC7520;F3145-2479;Methyl trans-cinnamic acid;CHEBI:181128;STR04643;NCGC00339102-01;AC-2401;EINECS 217-479-9;EN300-17120;4-Methylcinnamic acid,predominantly trans;W-107779;HY-W015399;8MB;AB01314089-03;NSC 66272;NSC-98546;EN300-396492;SCHEMBL80446;3-p-tolylacrylic acid;BBL037011;(~{E})-3-(4-methylphenyl)prop-2-enoic acid;(E)-3-p-tolyl-acrylic acid;Z2942851512;4-Methylcinnamic acid, predominantly trans, 99%;DTXSID20901045;Cinnamic acid, p-methyl-;

标识符

MDL:
MFCD00002697
InChIKey:
RURHILYUWQEGOS-VOTSOKGWSA-N
Inchi:
1S/C10H10O2/c1-8-2-4-9(5-3-8)6-7-10(11)12/h2-7H,1H3,(H,11,12)/b7-6+
SMILES:
C(/C1C=CC(C)=CC=1)=C\C(=O)O

反-对甲基肉桂酸(940-61-4)物化性质

实验特性

  • LogP : 2.09280
  • PSA : 37.30000

计算特性

  • 精确分子量 : 162.06800
  • 氢键供体数量 : 1
  • 氢键受体数量 : 2
  • 可旋转化学键数量 : 2
  • 同位素质量 : 162.068079557g/mol
  • 重原子数量 : 12
  • 复杂度 : 176
  • 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 : 1
  • 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) : 2.5
  • 拓扑分子极性表面积 : 37.3Ų

反-对甲基肉桂酸(940-61-4)安全信息

反-对甲基肉桂酸(940-61-4)合成路线

合成路线:1 步
反应条件:
参考文献:
Preparation of palladium complex supported by ethylenediamine cellulose and its catalytic behavior for heck reaction
Xu, Ying; Zhao, Qinglan; Zhang, Lei; Jin, Jinghua; Cui, Yuanchen, Huaxue Yanjiu, 2008, 19(4), 73-77
合成路线:1 步
反应条件:
参考文献:
(1-Nosyl-5-nitroindol-3-yl)methyl Ester: A Novel Protective Group for Carboxylic Acids
Nishimura, Takuya; Yamada, Kouhei; Takebe, Tohru; Yokoshima, Satoshi; Fukuyama, Tohru, Organic Letters, 2008, 10(12), 2601-2604
合成路线:1 步
反应条件:
参考文献:
Functional fiber with bis (N-heterocyclic carbene) structure prevents Pd(0) nanoparticle agglomeration for an efficient and recyclable Heck reaction
Zhang, Haonan; Liang, Wenlong ; Xiao, Jian; Zhao, Jinhao, Chemical Engineering Journal (Amsterdam, 2023, 455,
合成路线:1 步
反应条件:
参考文献:
Linear polystyrene-stabilized PdO nanoparticle-catalyzed Mizoroki-Heck reactions in water
Ohtaka, Atsushi; Yamaguchi, Tomohiro; Teratani, Takuto; Shimomura, Osamu; Nomura, Ryoki, Molecules, 2011, 16, 9067-9076
合成路线:1 步
反应条件:
参考文献:
N-Heterocyclic carbene-Pd(II) complex derived from proline for the Mizoroki-Heck reaction in water
Tang, Yi-Qiang; Chu, Chun-Yan; Zhu, Lei; Qian, Bin; Shao, Li-Xiong, Tetrahedron, 2011, 67(49), 9479-9483
合成路线:1 步
反应条件:
参考文献:
Stereoselective Hydroxycarbonylation of Vinyl Bromides to α,β-Unsaturated Carboxylic Acids in the Ionic Liquid [BMIM]PF6
Zhao, Xiaodan; Alper, Howard; Yu, Zhengkun, Journal of Organic Chemistry, 2006, 71(10), 3988-3990
合成路线:1 步
反应条件:
参考文献:
Copper-Catalyzed Aerobic Aminooxygenation of Cinnamyl N-Alkoxycarbamates via Substrate-Promoted Catalyst Activation
McNichol, Caitlyn P. ; DeCicco, Ethan M. ; Canfield, Amanda M. ; Carstairs, Daniel P.; Paradine, Shauna M., ACS Catalysis, 2023, 13(10), 6568-6573
合成路线:1 步
反应条件:
参考文献:
Design, synthesis and evaluation against Chikungunya virus of novel small-molecule antiviral agents
Tardugno, Roberta; Giancotti, Gilda; De Burghgraeve, Tine; Delang, Leen ; Neyts, Johan; et al, Bioorganic & Medicinal Chemistry, 2018, 26(4), 869-874
合成路线:1 步
反应条件:
参考文献:
Synthesis and bioactivities of novel piperazine-containing 1,5-Diphenyl-2-penten-1-one analogues from natural product lead
Xu, Gaofei; Yang, Xinling; Jiang, Biaobiao; Lei, Peng; Liu, Xili; et al, Bioorganic & Medicinal Chemistry Letters, 2016, 26(7), 1849-1853
合成路线:1 步
反应条件:
参考文献:
Synthesis and fungicidal activity study of novel daphneolone analogs with 2,6-dimethylmorpholine
Xu, Gao-Fei; Yang, Xin-Ling; Lei, Peng; Liu, Xi-li; Zhang, Xue-Bo; et al, Chinese Chemical Letters, 2016, 27(4), 555-558
合成路线:1 步
反应条件:
参考文献:
Microwave-assisted solvent-free synthesis of trans-cinnamic acids using lithium chloride as catalyst
Mogilaiah, K.; Reddy, G. Randheer, Synthetic Communications, 2004, 34(2), 205-210
合成路线:1 步
反应条件:
参考文献:
Non solvent reaction: ammonium acetate catalyzed highly convenient preparation of trans-cinnamic acids
Kumar, H. M. Sampath; Subbareddy, B. V.; Anjaneyulu, S.; Yadav, J. S., Synthetic Communications, 1998, 28(20), 3811-3815
合成路线:1 步
反应条件:
参考文献:
Synthesis and biological evaluation of N-(4-phenylthiazol-2-yl)cinnamamide derivatives as novel potential anti-tumor agents
Luo, Yong; Zhu, Yongxia; Ran, Kai; Liu, Zhihao; Wang, Ningyu; et al, MedChemComm, 2015, 6(6), 1036-1042
合成路线:1 步
反应条件:
参考文献:
Application of 'boomerang' linear polystyrene-stabilized pd nanoparticles to a series of C-C coupling reactions in water
Ohtaka, Atsushi; Okagaki, Toshiyuki; Hamasaka, Go; Uozumi, Yasuhiro; Shinagawa, Tsutomu; et al, Catalysts, 2015, 5(1), 106-118
合成路线:1 步
反应条件:
参考文献:
Preparation of Pd nanoparticles deposited on a polyaniline/multiwall carbon nanotubes nanocomposite and their application in the Heck reaction
Nie, Guangrui; Zhang, Lei; Cui, Yuanchen, Reaction Kinetics, 2013, 108(1), 193-204
合成路线:1 步
反应条件:
参考文献:
Bismuth(III) chloride-mediated, efficient, solvent-free, MWI-enhanced Doebner condensation for the synthesis of (E)-cinnamic acids
Kumar, Dhruva; Sandhu, Jagir S., Synthetic Communications, 2010, 40(13), 1915-1919
合成路线:1 步
反应条件:
参考文献:
Synthesis of lignin-amine supported palladium catalysts for Heck reaction
Wu, Yufeng; Zhang, Lei; Cui, Yuanchen; Liu, Jiangsheng; Yang, Shuai, Shiyou Huagong, 2009, 38(7), 733-738
合成路线:1 步
反应条件:
参考文献:
Silica-supported poly[(γ-mercaptopropyl)siloxane] palladium(0) complex. A highly active and stereoselective catalyst of arylation of styrene and acrylic acid
Cai, Ming Zhong; Song, Cai Sheng; Huang, Xian, Synthesis, 1997, (5), 521-523
合成路线:1 步
反应条件:
参考文献:
An Efficient Aerobic Oxidation Protocol of Aldehydes to Carboxylic Acids in Water Catalyzed by an Inorganic-Ligand-Supported Copper Catalyst
Yu, Han; Ru, Shi; Zhai, Yongyan; Dai, Guoyong; Han, Sheng; et al, ChemCatChem, 2018, 10(6), 1253-1257
合成路线:1 步
反应条件:
参考文献:
A simple and straightforward synthesis of cinnamic acids and ylidene malononitriles via Knoevenagel condensation employing DABCO as catalyst
Nagalakshmi, K.; Diwakar, B. S.; Govindh, B.; Reddy, P. Gopal; Venu, R.; et al, Asian Journal of Chemistry, 2017, 29(7), 1561-1564

反-对甲基肉桂酸(940-61-4)相关文献