882-06-4 (反-4-硝基肉桂酸,4-Nitrocinnamic acid)

CAS号:
882-06-4
中文名称:
反-4-硝基肉桂酸
英文名称:
4-Nitrocinnamic acid
分子式:
C9H7NO4
分子量:
193.156182527542

反-4-硝基肉桂酸(882-06-4)名称与标识符

名称

中文别名:
反-4-硝基肉桂酸;(E)-4-硝基肉桂酸;4-硝基肉桂酸;对硝基肉桂酸;
英文别名:
trans-4-nitrocinnamic acid;(2E)-3-(4-nitrophenyl)prop-2-enoic acid;(2E)-3-[4-(HYDROXYNITROSO)PHENYL]PROP-2-ENOIC ACID;(E)-3-(4-nitrophenyl)-2-propenoic acid;(E)-3-(4-nitrophenyl)acrylic acid;(E)-4-Nitrocinnamic acid;3-(4-nitrophenyl)acrylic acid;3-(4-nitrophenyl)prop-2-enoic acid;3-{4-nitrophenyl}acrylic acid;4'-NITROCINNAMIC ACID;4-NITROCINNAMIC ACID;4'-NITROCINNAMIC ACID FOR SYNTHESIS;(E)-p-Nitrocinnamic acid;(2E)-3-(4-Nitrophenyl)-2-propenoic acid;trans-p-Nitrocinnamic acid;(2E)-3-(4-Nitrophenyl)-2-propenoic acid (ACI);2-Propenoic acid, 3-(4-nitrophenyl)-, (E)- (ZCI);Cinnamic acid, p-nitro-, (E)- (8CI);AC-20110;4-Nitrocinnamic acid, predominantly trans, 97%;AB00376910-03;EINECS 210-617-9;NSC 2067;InChI=1/C9H7NO4/c11-9(12)6-3-7-1-4-8(5-2-7)10(13)14/h1-6H,(H,11,12)/b6-3+;882-06-4;NSC-638142;2-Propenoic acid, 3-(4-nitrophenyl)-, (2E)-;trans-4-Nitrocinnmic acid;J-650051;CCRIS 1665;(E)-3-(4-nitrophenyl)prop-2-enoic acid;XMMRNCHTDONGRJ-ZZXKWVIFSA-;ALBB-011729;619-89-6;SCHEMBL277169;STK397302;EN300-364944;AKOS000118870;SCHEMBL42325;DTXSID301043547;3-(4-(Hydroxy(oxido)amino)phenyl)acrylic acid;W-105061;CS-W015785;AKOS040763592;Para-nitrocinnamic acid;3-(4-Nitrophenyl)-2-propenoic acid;CHEMBL99068;NS00034878;EN300-16974;EINECS 212-924-3;NS00079698;AS-10856;(2E)-3-(4-Nitrophenyl)Acrylic Acid;N0355;Cinnamic acid, p-nitro-;A10224;NCGC00331331-01;2-Propenoic acid, 3-(4-nitrophenyl)-;NSC-2067;AE-641/00135027;Z56845264;NSC638142;BBL009860;NSC2067;(E)-3-(4-Nitrophenyl)acrylicacid;p-Nitrocinnamic acid;F3284-8535;MFCD00007381;3-(4-Nitrophenyl)propenoic acid;E-3-(4-nitrophenyl)propenoic acid;

标识符

MDL:
MFCD00007381
InChIKey:
XMMRNCHTDONGRJ-ZZXKWVIFSA-N
Inchi:
1S/C9H7NO4/c11-9(12)6-3-7-1-4-8(5-2-7)10(13)14/h1-6H,(H,11,12)/b6-3+
SMILES:
[N+](C1C=CC(/C=C/C(=O)O)=CC=1)(=O)[O-]
BRN:
1369659

反-4-硝基肉桂酸(882-06-4)物化性质

实验特性

  • LogP : 2.21580
  • PSA : 83.12000
  • 水溶性 : Insoluble in water.
  • 沸点 : 346 ºC
  • 熔点 : 292-293 ºC
  • 闪点 : 154 ºC
  • 密度 : 1.411

计算特性

  • 精确分子量 : 193.03800
  • 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 : 193.037508
  • 重原子数量 : 14
  • 复杂度 : 248
  • 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) : 2.1
  • 拓扑分子极性表面积 : 83.1

反-4-硝基肉桂酸(882-06-4)安全信息

反-4-硝基肉桂酸(882-06-4)国际标准相关数据

EINECS:
212-924-3

反-4-硝基肉桂酸(882-06-4)合成路线

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; et al, Shiyou Huagong, 2009, 38(7), 733-738
合成路线:1 步
反应条件:
参考文献:
Magnetic polymer nanocomposite-supported Pd: an efficient and reusable catalyst for the Heck and Suzuki reactions in water
Wang, Dongfang; et al, New Journal of Chemistry, 2015, 39(3), 2052-2059
合成路线:1 步
反应条件:
参考文献:
Highly active recyclable SBA-15-EDTA-Pd catalyst for Mizoroki-Heck, Stille and Kumada C-C coupling reactions
Rathod, Jayant; et al, Journal of Porous Materials, 2017, 24(4), 837-846
合成路线:1 步
反应条件:
参考文献:
Design, synthesis and antibacterial activity of cinnamaldehyde derivatives as inhibitors of the bacterial cell division protein FtsZ
Li, Xin; et al, European Journal of Medicinal Chemistry, 2015, 97, 32-41
合成路线:1 步
反应条件:
参考文献:
Phenylacrylamides as novel FtsZ-targeted potential antimicrobials
Li, Xin; et al, Letters in Drug Design & Discovery, 2015, 12(3), 234-240
合成路线:1 步
反应条件:
参考文献:
High fluorine content bis(fluoro-ponytailed) bipyridine palladium complexes as catalyst for Mizoroki-Heck reactions under fluorous biphasic catalysis conditions
Lu, Norman; et al, Journal of the Chinese Chemical Society (Taipei, 2008, 55(1), 89-96
合成路线:1 步
反应条件:
参考文献:
An efficient and recyclable ligand-free PEG1000-DIL/toluene temperature-dependent biphasic system for palladium catalysed Heck reactions
Liu, Xiang; et al, Journal of Chemical Research, 2011, 35(12), 731-733
合成路线:1 步
反应条件:
参考文献:
A green chemical synthesis of coumarin-3-carboxylic and cinnamic acids using crop-derived products and waste waters as solvents
Fiorito, Serena; et al, Tetrahedron Letters, 2016, 57(43), 4795-4798
合成路线:1 步
反应条件:
参考文献:
Mild zinc-promoted Horner-Wadsworth-Emmons reactions of diprotic phosphonate reagents
Schauer, Douglas J.; et al, Synthesis, 2006, (21), 3654-3660
合成路线:1 步
反应条件:
参考文献:
Larvicidal activity and in silico studies of cinnamic acid derivatives against Aedes aegypti (Diptera: Culicidae)
Bezerra Franca, Saraliny; et al, Bioorganic & Medicinal Chemistry, 2021, 44,
合成路线:1 步
反应条件:
参考文献:
Facile, direct reaction of benzaldehydes to 3-arylprop-2-enoic acids and 3-arylprop-2-ynoic acids in aqueous medium
Thiemann, Thies; et al, International Journal of Organic Chemistry, 2016, 6(2), 126-141
合成路线:1 步
反应条件:
参考文献:
Synthesis and biological evaluation of N-(substituted cinnamoyl)-N'-(pyridin-2-yl)piperazine as antioxidants
Desale, Kamlesh R.; et al, International Journal of Pharma and Bio Sciences, 2013, 4(3), 97-103
合成路线:1 步
反应条件:
参考文献:
Design of a Membrane Fluorescent Sensor Based on Photo-Cross-Linked PEG Hydrogel
Zheng, Yujun; et al, Journal of Physical Chemistry B, 2003, 107(2), 483-488
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; et al, Reaction Kinetics, 2013, 108(1), 193-204
合成路线:1 步
反应条件:
参考文献:
Guanidine-functionalized resin-supported Pd(0) catalyst: activity, reusability, and redeposition of active Pd species in Heck vinylation
Yang, Yuan-Fa; et al, Chinese Journal of Chemistry, 2008, 26(1), 30-34
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; et al, Chemical Engineering Journal (Amsterdam, 2023, 455,
合成路线:1 步
反应条件:
参考文献:
Examination of Phosphoryl-Mimicking Functionalities within a Macrocyclic Grb2 SH2 Domain-Binding Platform
Kang, Sang-Uk; et al, Journal of Medicinal Chemistry, 2005, 48(12), 3945-3948
合成路线:1 步
反应条件:
参考文献:
Visible-light-enabled denitrative carboxylation of β-nitrostyrenes: a direct photocatalytic approach to cinnamic acids
Tripathi, Shubhangi; et al, New Journal of Chemistry, 2018, 42(5), 3765-3769
合成路线:1 步
反应条件:
参考文献:
Biocatalytic Synthesis of α,β-Unsaturated 2-Keto Acids and Derivatives Using the Promiscuous Aldolase, NahE
Fansher, Douglas J.; et al, Synthesis, 2023, 55(1), 75-89
合成路线:1 步
反应条件:
参考文献:
Suzuki and Heck cross-coupling reactions using ferromagnetic nanoparticle-supported palladium complex as an efficient and recyclable heterogeneous nanocatalyst in sodium dodecylsulfate micelles
Bahrami, Kiumars; et al, Applied Organometallic Chemistry, 2017, 31(6),
合成路线:1 步
反应条件:
参考文献:
Synthesis of trans-cinnamic acids from aryl aldehydes and aryl aldehyde bisulfite adducts with malonic acid using piperazine
Khosropour, Ahmad Reza; et al, Journal of Chemical Research, 2005, (6), 364-365
合成路线:1 步
反应条件:
参考文献:
N-Heterocycle carbene (NHC)-ligated cyclopalladated N,N-dimethylbenzylamine: A highly active, practical and versatile catalyst for the Heck-Mizoroki reaction
Peh, Guang-Rong; et al, Organic & Biomolecular Chemistry, 2009, 7(10), 2110-2119
合成路线:1 步
反应条件:
参考文献:
Carboxymethylcellulose-supported palladium nanoparticles generated in situ from palladium(II) carboxymethylcellulose as an efficient and reusable catalyst for ligand- and base-free Heck-Matsuda and Suzuki-Miyaura couplings
Xiao, Jinlong; et al, Applied Organometallic Chemistry, 2015, 29(9), 646-652
合成路线:1 步
反应条件:
参考文献:
A novel direct boron-mediated synthesis of cinnamic acids from aromatic aldehydes and aliphatic carboxylic acids
Chiriac, Constantin I.; et al, Revue Roumaine de Chimie, 2009, 54(11-12), 987-991
合成路线:1 步
反应条件:
参考文献:
Sodium tetraborate/benzyltriethylammonium chloride-mediated synthesis of substituted cinnamic acids from aromatic aldehydes and aliphatic carboxylic acids
Nechifor, Marioara; et al, Revue Roumaine de Chimie, 2013, 58(2-3), 161-164
合成路线:1 步
反应条件:
参考文献:
Aryldiazonium silica sulfates as efficient reagents for Heck-type arylation reactions under mild conditions
Zarei, Amin; et al, Tetrahedron Letters, 2011, 52(35), 4554-4557
合成路线:1 步
反应条件:
参考文献:
Palladium-catalyzed arylation of poly(ethylene glycol) bound acrylate with aryl iodides in water: a liquid-phase synthesis of trans-cinnamic acids
Sheng, Shou-Ri; et al, Journal of Chemical Research, 2006, (1), 24-26
合成路线:1 步
反应条件:
参考文献:
KOH-promoted reaction of C,O,O-tris(trimethylsilyl) ketene acetal with aldehydes: practical and easy access to (E)-α,β-ethylenic carboxylic acids
Lensen, Nathalie; et al, Synthetic Communications, 2001, 31(7), 1007-1011

反-4-硝基肉桂酸(882-06-4)上下游

反-4-硝基肉桂酸(882-06-4)相关文献