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Chemistry
Heterocyclic Building Blocks
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7-(Diethylamino)-2-oxo-2H-chromene-3-carbaldehyde
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[ CAS No. 57597-64-5 ]

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Cat. No.: {[proInfo.prAm]}
Chemical Structure| 57597-64-5
Chemical Structure| 57597-64-5
Structure of 57597-64-5 * Storage: {[proInfo.prStorage]}
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Quality Control of [ 57597-64-5 ]

COA NMR CNMR HPLC LC-MS

Related Doc. of [ 57597-64-5 ]

SDS Specification
Alternatived Products of [ 57597-64-5 ]

Product Details of [ 57597-64-5 ]

CAS No. :57597-64-5 MDL No. :MFCD00438856
Formula : C14H15NO3 Boiling Point : -
Linear Structure Formula :- InChI Key :HWQSZPUCHJKWLS-UHFFFAOYSA-N
M.W :245.27 Pubchem ID :143191
Synonyms :

Calculated chemistry of [ 57597-64-5 ]

Physicochemical Properties

Num. heavy atoms : 18
Num. arom. heavy atoms : 10
Fraction Csp3 : 0.29
Num. rotatable bonds : 4
Num. H-bond acceptors : 3.0
Num. H-bond donors : 0.0
Molar Refractivity : 71.69
TPSA : 50.52 Ų

Pharmacokinetics

GI absorption : High
BBB permeant : Yes
P-gp substrate : No
CYP1A2 inhibitor : Yes
CYP2C19 inhibitor : Yes
CYP2C9 inhibitor : No
CYP2D6 inhibitor : No
CYP3A4 inhibitor : No
Log Kp (skin permeation) : -6.06 cm/s

Lipophilicity

Log Po/w (iLOGP) : 2.43
Log Po/w (XLOGP3) : 2.44
Log Po/w (WLOGP) : 2.45
Log Po/w (MLOGP) : 1.52
Log Po/w (SILICOS-IT) : 2.91
Consensus Log Po/w : 2.35

Druglikeness

Lipinski : 0.0
Ghose : None
Veber : 0.0
Egan : 0.0
Muegge : 0.0
Bioavailability Score : 0.55

Water Solubility

Log S (ESOL) : -3.05
Solubility : 0.221 mg/ml ; 0.000902 mol/l
Class : Soluble
Log S (Ali) : -3.14
Solubility : 0.176 mg/ml ; 0.000718 mol/l
Class : Soluble
Log S (SILICOS-IT) : -4.49
Solubility : 0.00801 mg/ml ; 0.0000327 mol/l
Class : Moderately soluble

Medicinal Chemistry

PAINS : 0.0 alert
Brenk : 2.0 alert
Leadlikeness : 1.0
Synthetic accessibility : 2.81

Safety of [ 57597-64-5 ]

Signal Word:Warning Class:
Precautionary Statements:P261-P280-P301+P312-P302+P352-P305+P351+P338 UN#:
Hazard Statements:H302-H315-H319-H335 Packing Group:
GHS Pictogram:

Application In Synthesis of [ 57597-64-5 ]

* All experimental methods are cited from the reference, please refer to the original source for details. We do not guarantee the accuracy of the content in the reference.

  • Downstream synthetic route of [ 57597-64-5 ]

[ 57597-64-5 ] Synthesis Path-Downstream   1~54

  • 1
  • [ 28705-46-6 ]
  • [ 57597-64-5 ]
YieldReaction ConditionsOperation in experiment
Multi-step reaction with 2 steps 1: 87 percent / conc. aq. HCl / 10 h / Heating 2: 67 percent / POCl3 / 3 h / 80 °C
Multi-step reaction with 2 steps 1.1: hydrogenchloride / water / 5 h / Reflux 2.1: trichlorophosphate / 0.75 h / 40 - 50 °C 2.2: 2 h / 60 °C
Multi-step reaction with 2 steps 1: hydrogenchloride / water / 7 h / Reflux 2: trichlorophosphate / 4.75 h / 20 - 60 °C / Inert atmosphere
Multi-step reaction with 2 steps 1: hydrogenchloride; acetic acid / water / 16 h / 120 °C 2: trichlorophosphate / 12 h / 20 - 65 °C
Multi-step reaction with 2 steps 1.1: hydrogenchloride / water / 8 h / Reflux 2.1: trichlorophosphate / 0.5 h / 0 - 20 °C 2.2: 3 h / 60 °C
Multi-step reaction with 2 steps 1: hydrogenchloride / water / 5 h / 100 °C 2: sodium hydroxide; trichlorophosphate / 0.75 h / 50 °C
Multi-step reaction with 2 steps 1: hydrogenchloride / water 2: trichlorophosphate / water; N,N-dimethyl-formamide
Multi-step reaction with 2 steps 1.1: hydrogenchloride; acetic acid / water / 12 h / 105 °C 2.1: trichlorophosphate / 0.5 h / 20 °C / Inert atmosphere 2.2: 6 h / 60 °C / Inert atmosphere
Multi-step reaction with 2 steps 1: hydrogenchloride; acetic acid / Reflux 2: trichlorophosphate
Multi-step reaction with 2 steps 1: hydrogenchloride; acetic acid / water / Reflux 2: trichlorophosphate / 12 h / 60 °C
Multi-step reaction with 2 steps 1.1: hydrogenchloride; acetic acid / water / 18 h / 100 - 110 °C 2.1: trichlorophosphate / 0.75 h / 20 - 50 °C / Inert atmosphere 2.2: 60 °C
Multi-step reaction with 2 steps 1.1: hydrogenchloride / water / Reflux 2.1: trichlorophosphate / 0.5 h / 20 °C / Inert atmosphere 2.2: 60 °C / Inert atmosphere
Multi-step reaction with 2 steps 1: hydrogenchloride / water / Reflux 2: trichlorophosphate / 60 °C
Multi-step reaction with 2 steps 1: hydrogenchloride; water / Reflux 2: trichlorophosphate / Reflux
Multi-step reaction with 2 steps 1.1: hydrogenchloride; acetic acid / water / 6 h / Reflux 2.1: trichlorophosphate / 0.5 h / 30 °C / Inert atmosphere 2.2: 60 °C / Inert atmosphere
Multi-step reaction with 2 steps 1: hydrogenchloride / 8 h / Reflux 2: trichlorophosphate / 4 h / 60 °C

Reference： [1]Komlev, I. V.; Tavrizova, M. A.; Khrolova, O. R.; Mikhailova, T. A. [Journal of general chemistry of the USSR, 1985, vol. 55, # 4, p. 793 - 796][Zhurnal Obshchei Khimii, 1985, vol. 55, # 4, p. 888 - 892]
[2]An, Kyoung Lyong; Shin, Seung Rim; Jun, Kun; Park, Soo Youl [Journal of the Korean Chemical Society, 2014, vol. 58, # 3, p. 297 - 302]
[3]Hou, Ji-Ting; Yang, Jin; Li, Kun; Liao, Ye-Xin; Yu, Kang-Kang; Xie, Yong-Mei; Yu, Xiao-Qi [Chemical Communications, 2014, vol. 50, # 69, p. 9947 - 9950]
[4]Tathe, Abhinav B.; Gupta, Vinod D.; Sekar, Nagaiyan [Dyes and Pigments, 2015, vol. 119, p. 49 - 55]
[5]Xiang, Kaiqiang; Chang, Shunzhou; Feng, Jingjing; Li, Changjiang; Ming, Wei; Liu, Ziyan; Liu, Yunchang; Tian, Baozhu; Zhang, Jinlong [Dyes and Pigments, 2016, vol. 134, p. 190 - 197]
[6]Current Patent Assignee: SICHUAN UNIVERSITY - CN105367566, 2016, A
[7]Li, Chao-Rui; Li, Si-Liang; Yang, Zheng-Yin [Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy, 2017, vol. 174, p. 214 - 222]
[8]Current Patent Assignee: UNIVERSITY OF JINAN (SHANDONG) - CN107235946, 2017, A
[9]Long, Lingliang; Huang, Meiyu; Wang, Ning; Wu, Yanjun; Wang, Kun; Gong, Aihua; Zhang, Zhijian; Sessler, Jonathan L. [Journal of the American Chemical Society, 2018, vol. 140, # 5, p. 1870 - 1875]
[10]Jadhav, Manoj M.; Vaghasiya, Jayraj V.; Patil, Dinesh S.; Soni, Saurabh S.; Sekar, Nagaiyan [New Journal of Chemistry, 2018, vol. 42, # 7, p. 5267 - 5275]
[11]Current Patent Assignee: CHINA PHARMACEUTICAL UNIVERSITY - CN108658914, 2018, A
[12]Li, Jun; Cui, Yuanchao; Bi, Chenxi; Feng, Shaoqiong; Yu, Fengzhen; Yuan, En; Xu, Shengzhen; Hu, Zhe; Sun, Qi; Wei, Dengguo; Yoon, Juyoung [Analytical Chemistry, 2019, vol. 91, # 11, p. 7360 - 7365]
[13]Current Patent Assignee: HUAZHONG AGRICULTURAL UNIVERSITY - CN110041314, 2019, A
[14]Han, Shaohui; Song, Xiangzhi; Wang, Benhua; Wang, Jingpei; Yue, Xiuxiu; Zhang, Yun [New Journal of Chemistry, 2020, vol. 44, # 11, p. 4554 - 4557]
[15]Current Patent Assignee: NANJING UNIVERSITY - CN110804043, 2020, A
[16]Current Patent Assignee: JAWAHARLAL NEHRU CENTRE FOR ADVANCED SCIENTIFIC RESEARCH - WO2021/176428, 2021, A1
  • 2
  • [ 14134-81-7 ]
  • [ 57597-64-5 ]
  • [ 1256462-38-0 ]
YieldReaction ConditionsOperation in experiment
83% With piperidine In ethanol at 20℃; for 5h; Reflux;
72.1% In ethanol for 10h; Reflux;
Reference： [1]An, Kyoung Lyong; Shin, Seung Rim; Jun, Kun; Park, Soo Youl [Journal of the Korean Chemical Society, 2014, vol. 58, # 3, p. 297 - 302]
[2]Yuan, Lin; Lin, Weiying; Song, Jizeng [Chemical Communications, 2010, vol. 46, # 42, p. 7930 - 7932]
  • 3
  • [ 2032-34-0 ]
  • [ 57597-64-5 ]
  • [ 1312992-76-9 ]
Reference： [1]Organic Letters,2011,vol. 13,p. 3730 - 3733
  • 4
  • [ 15898-47-2 ]
  • [ 57597-64-5 ]
  • [ 1312992-77-0 ]
Reference： [1]Organic Letters,2011,vol. 13,p. 3730 - 3733
  • 5
  • [ 636-99-7 ]
  • [ 57597-64-5 ]
  • [ 1326767-84-3 ]
YieldReaction ConditionsOperation in experiment
52.1% In ethanol; for 6h;Reflux; 7-(Diethylamino)-2-oxo-2H-chromene-3-carbaldehyde (245 mg, 1 mmol) and <strong>[636-99-7]4-nitrophenylhydrazine hydrochloride</strong> (189 mg, 1 mmol) was added in ethanol (40 mL) (Scheme 1). The mixed solution was refluxed for 6 h, cooled to room temperature. Then the solvent was concentrated to half and garnet crystals were precipitated, washed with hot ethanol for several times to yield L1 198 mg (yield 52.1%).
Reference： [1]Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy,2011,vol. 79,p. 1352 - 1355
  • 6
  • [ 5418-63-3 ]
  • [ 57597-64-5 ]
  • [ 1352626-59-5 ]
YieldReaction ConditionsOperation in experiment
73% In ethanol for 12h; Reflux;
56% In ethanol for 5h; Reflux; Inert atmosphere;
56% In ethanol Reflux; 2 General procedure: The synthetic indole salt derivative (MR) 1.0mmol and coumarin aldehyde derivative 1.0mmol were dissolved in 20mL ethanol solution.After heating and refluxing for 12h, the solvent was spin-dried under reduced pressure after completion of the reaction. The resulting residue was separated by column chromatography (CH2Cl2: CH3OH, 0: 1 to 10: 1),The corresponding CMC series products are obtained.
47% In ethanol at 60℃; for 20h;
With acetic acid In ethanol
In ethanol at 75℃; for 5h;

Reference： [1]Lv, Xin; Liu, Jing; Liu, Yunlong; Zhao, Yun; Sun, Yuan-Qiang; Wang, Pi; Guo, Wei [Chemical Communications, 2011, vol. 47, # 48, p. 12843 - 12845]
[2]Fang, Hongbao; Chen, Yuncong; Shi, Xiangchao; Bai, Yang; Chen, Zhongyan; Han, Zhong; Zhang, Yuming; He, Weijiang; Guo, Zijian [New Journal of Chemistry, 2019, vol. 43, # 37, p. 14800 - 14805]
[3]Current Patent Assignee: NANJING UNIVERSITY - CN110804043, 2020, A Location in patent: Paragraph 0026; 0030-0032
[4]Shiraishi, Yasuhiro; Nakamura, Masaya; Yamamoto, Kohei; Hirai, Takayuki [Chemical Communications, 2014, vol. 50, # 78, p. 11583 - 11586]
[5]Zha, Jiayu; Fu, Boqiao; Qin, Caiqin; Zeng, Lintao; Hu, Xichao [RSC Advances, 2014, vol. 4, # 81, p. 43110 - 43113]
[6]Tirla, Alina; Rivera-Fuentes, Pablo [Chimia, 2018, vol. 72, # 4, p. 241 - 244]
  • 7
  • [ 826-85-7 ]
  • [ 57597-64-5 ]
  • [ 1366003-74-8 ]
  • [ 1366003-70-4 ]
Reference： [1]Journal of Organic Chemistry,2012,vol. 77,p. 3475 - 3482
  • 8
  • [ 826-85-7 ]
  • [ 57597-64-5 ]
  • [ 1366003-70-4 ]
  • [ 1366003-68-0 ]
Reference： [1]Journal of Organic Chemistry,2012,vol. 77,p. 3475 - 3482
  • 9
  • [ 826-85-7 ]
  • [ 57597-64-5 ]
  • [ 1366003-69-1 ]
  • [ 1366003-74-8 ]
Reference： [1]Journal of Organic Chemistry,2012,vol. 77,p. 3475 - 3482
  • 10
  • [ 79418-41-0 ]
  • [ 57597-64-5 ]
  • [ 1369403-84-8 ]
YieldReaction ConditionsOperation in experiment
86% In ethanol; for 6h;Reflux; A portion of 7-diethylaminocoumarin-3-aldehyde (247 mg, 1 mmol) and <strong>[79418-41-0]3-amino-7-hydroxycoumarin</strong> (195 mg, 1.1 mmol) were combined in hot absolute ethanol (20 mL) to yield a scarlet precipitate for a moment. The solution was stirred under reflux conditions for 6 h, and the precipitate was filtrated, washed with hot absolute ethanol three times, then recrystallized with DMF/H2O (v/v, 1/3) to get scarlet crystal L (347 mg, 0.86 mmol) in 86% yield. IR (KBr, cm-1): 2966, 2927, 1718, 1620, 1349, 1506, 1456, 1420, 845, 811, 770, 729, 693. 1H NMR (DMSO-d6, 400 MHz, delta): 10.54(s, 1H, OH), 9.04(s, 1H, NCH), 8.56(s, 1H, ArH), 7.81(s, 1H, ArH), 7.70(d, 1H, J = 12 Hz, ArH), 7.58(d, 1H, J = 8 Hz, ArH), 6.81 (t, 1H, J = 8 Hz, ArH), 6.77 (s, 1H, ArH), 6.61(s, 1H, ArH), 3.49(q, 4H, J = 8 Hz, CH2CH3), 1.16(t, 6H, J = 8 Hz, CH2CH3). Anal. Calcd for C23H20N2O5: C 68.31%, H 4.98%, N 6.93%, Found: C 68.55%, H 5.04%, N 6.66%.
Reference： [1]Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy,2012,vol. 90,p. 40 - 44
  • 11
  • [ 57597-64-5 ]
  • [ 38215-36-0 ]
YieldReaction ConditionsOperation in experiment
Multi-step reaction with 2 steps 1: methanol / 4 h / Reflux 2: copper(II) perchlorate / water; acetonitrile
Multi-step reaction with 2 steps 1: triethylamine / ethanol / 6 - 8 h / 24.84 °C / Inert atmosphere; Glovebox 2: oxygen / tetrahydrofuran
Multi-step reaction with 2 steps 1: triethylamine / ethanol / 6 - 8 h / 24.84 °C / Inert atmosphere; Glovebox 2: arsenic triiodide; triethylamine / tetrahydrofuran / 2 h / 20 °C / Inert atmosphere; Glovebox
Multi-step reaction with 2 steps 1: ethanol / 6 h / 20 °C / Inert atmosphere 2: toluene / Irradiation
Multi-step reaction with 3 steps 1: ethanol / 6 h / 20 °C / Inert atmosphere 2: acetic anhydride / 12 h / 20 °C / Inert atmosphere 3: toluene / Irradiation
Multi-step reaction with 3 steps 1: ethanol / 6 h / 20 °C / Inert atmosphere 2: formic acid / 6 h / 20 - 80 °C 3: toluene / Irradiation

Reference： [1]Li, Junbo; Zeng, Yang; Hu, Qihui; Yu, Xianglin; Guo, Jia; Pan, Zhiquan [Dalton Transactions, 2012, vol. 41, # 13, p. 3623 - 3626]
[2]Ezeh, Vivian C.; Harrop, Todd C. [Inorganic Chemistry, 2013, vol. 52, # 5, p. 2323 - 2334]
[3]Ezeh, Vivian C.; Harrop, Todd C. [Inorganic Chemistry, 2013, vol. 52, # 5, p. 2323 - 2334]
[4]Traven, Valerii F.; Cheptsov, Dmitrii A.; Solovjova, Natalya P.; Chibisova, Tatjana A.; Voronov, Ilya I.; Dolotov, Sergei M.; Ivanov, Ivan V. [Dyes and Pigments, 2017, vol. 146, p. 159 - 168]
[5]Traven, Valerii F.; Cheptsov, Dmitrii A.; Solovjova, Natalya P.; Chibisova, Tatjana A.; Voronov, Ilya I.; Dolotov, Sergei M.; Ivanov, Ivan V. [Dyes and Pigments, 2017, vol. 146, p. 159 - 168]
[6]Traven, Valerii F.; Cheptsov, Dmitrii A.; Solovjova, Natalya P.; Chibisova, Tatjana A.; Voronov, Ilya I.; Dolotov, Sergei M.; Ivanov, Ivan V. [Dyes and Pigments, 2017, vol. 146, p. 159 - 168]
  • 12
  • [ 6950-82-9 ]
  • [ 57597-64-5 ]
  • [ 1393594-72-3 ]
YieldReaction ConditionsOperation in experiment
61% General procedure: 4a-f (1 mmol) and piperidine (1 mmol) were stirred in methanol (6 mL) for 15 min and 9 (0.245 g, 1 mmol) was added slowly at room temperature. After complete consumption of 9, the precipitated solid was collected by filtration and washed with small quantity of cold methanol followed by water to remove traces of piperidine. The solid (10a-f) was washed with ethyl acetate. The second crop of 10a-f was obtained from filtrate; the filtrate was evaporated to obtain a sticky mass which was purified by column chromatography on silica gel using toluene - ethyl acetate .
Reference： [1]Tetrahedron Letters,2012,vol. 53,p. 5407 - 5410
  • 13
  • [ 6950-82-9 ]
  • [ 57597-64-5 ]
  • [ 1393594-76-7 ]
Reference： [1]Tetrahedron Letters,2012,vol. 53,p. 5407 - 5410
  • 14
  • [ 52509-14-5 ]
  • [ 57597-64-5 ]
  • [ 1403769-30-1 ]
Reference： [1]Organic and biomolecular chemistry,2012,vol. 10,p. 8342 - 8347,6
  • 15
  • [ 4274-38-8 ]
  • [ 57597-64-5 ]
  • [ 1356541-32-6 ]
YieldReaction ConditionsOperation in experiment
88% With triethylamine In ethanol at 24.84℃; for 6 - 8h; Inert atmosphere; Glovebox;
Reference： [1]Ezeh, Vivian C.; Harrop, Todd C. [Inorganic Chemistry, 2013, vol. 52, # 5, p. 2323 - 2334]
  • 16
  • [ 57597-64-5 ]
  • [ 171364-81-1 ]
  • C28H32BNO5 [ No CAS ]
Reference： [1]Chinese Journal of Chemistry,2013,vol. 31,p. 1095 - 1101
  • 17
  • [ 57597-64-5 ]
  • [ 1127-35-1 ]
  • C22H19NO5S [ No CAS ]
Reference： [1]RSC Advances,2013,vol. 3,p. 22150 - 22154
  • 18
  • [ 52509-14-5 ]
  • [ 57597-64-5 ]
  • [ 1312774-15-4 ]
YieldReaction ConditionsOperation in experiment
With sodium hydroxide; In dichloromethane; at 20℃; for 24h; (3) Weighing 0.4 g of 7-(diethylamino)coumarin aldehyde obtained in the step 2 and 0.6 g of (1,3-dioxychloro-2-methyl)triphenylphosphonium bromide were added.In 6 mL of dichloromethane,Stir at room temperature, after complete dissolution, add 0.5mL sodium hydroxide solution, react at room temperature for 24h;Neutralize with hydrochloric acid to bring the pH to 7, to obtain a mixture C, which is subjected to extraction and separation with distilled water and dichloromethane.The organic layer was recovered, and the excess solvent (dichloromethane) was evaporated under reduced pressure.Purification by column chromatography (petroleum ether / dichloromethane = 5:1, v / v) to obtain an intermediate product;
Reference： [1]Dyes and Pigments,2014,vol. 103,p. 1 - 8
[2]Chemistry - An Asian Journal,2018,vol. 13,p. 560 - 567
[3]Patent: CN109705105,2019,A .Location in patent: Paragraph 0041; 0044; 0046; 0049; 0051; 0054; 0058
  • 19
  • [ 3119-93-5 ]
  • [ 57597-64-5 ]
  • 2-(2-(7-(diethylamino)-2-oxo-2H-chromen-3-yl)vinyl)-3-ethylbenzo[d]thiazol-3-ium iodide [ No CAS ]
YieldReaction ConditionsOperation in experiment
84% With piperidine In ethanol at 20℃; for 5h; Reflux;
59.9% With piperidine In ethanol Reflux;
Reference： [1]An, Kyoung Lyong; Shin, Seung Rim; Jun, Kun; Park, Soo Youl [Journal of the Korean Chemical Society, 2014, vol. 58, # 3, p. 297 - 302]
[2]Liu, Zhixue; Sun, Xiaohan; Dai, Xianyin; Li, Jingjing; Li, Peiyu; Liu, Yu [Journal of Materials Chemistry C, 2021, vol. 9, # 6, p. 1958 - 1965]
  • 20
  • [ 57597-64-5 ]
  • [ 95-54-5 ]
  • [ 27425-55-4 ]
YieldReaction ConditionsOperation in experiment
75% With sodium hydrogensulfite In methanol for 1h; Reflux; 3-(2-Benzimidazolyl)-7-(diethylamino)coumarin (1): A solution of 7-diethylamino-3-formylcoumarin (0.245 g, 1.0 mmol) in methanol (10mL) was added dropwise to a stirred mixture of o-phenylenediamine (0.11 g, 1.0 mmol), sodium bisulfite (0.10 g, 1.0 mmol), and methanol(10 mL). The mixture was stirred under reflux conditions for 1 hours. The solvent was evaporated under reduced pressure and the resulting mixture was dissolved in ethyl acetate (50 mL). The organic layer was washed successively with diluted aqueous hydrochloric acid (2×50mL), saturated aqueous sodium bicarbonate (2×50 mL) and saturated aqueous sodium chloride (3×50 mL). After drying over Na2SO4, the solvent was evaporated under reduced pressure. The resulting residue was purified by column chromatography using petroleum ether/ethylacetate (v/v = 3:1) as eluent to afford 1 in 75% yield as yellow solid,m.p. 234-236 °C (lit.11 234-237 °C). IR (KBr) cm-1: 3338, 2970, 1693,1618, 1592, 1530, 1253, 738. 1H NMR (400 MHz, CDCl3): δ 11.26 (s,1H), 8.90 (s, 1H), 7.76 (s, 1H), 7.49 (s, 1H), 7.43 (d, J = 8.8 Hz, 1H),7.30-7.25 (m, 2H), 6.65 (dd, J = 9.2 and 2.4 Hz, 1H), 6.53 (d, J = 2.4Hz, 1H), 3.42 (q, J = 7.2 Hz, 4H), 1.23 (t, J = 7.2 Hz, 6H). 13C NMR(100 MHz, CDCl3): δ 162.2, 157.0, 152.1, 148.1, 143.0, 130.7, 122.9,110.3, 109.0, 107.9, 97.1, 45.3, 12.6. HRMS calcd for C20H2ON3O2[M+H]+: 334.1551; found: 334.1559.
Reference： [1]Wang, Xiaolong; Yang, Fang; Xue, Ziyan; Wang, Xiaoqiang; Chen, Chen [Journal of Chemical Research, 2015, vol. 39, # 4, p. 213 - 215]
  • 21
  • [ 15344-56-6 ]
  • [ 57597-64-5 ]
  • 2-(benzo[d]oxazol-2-yl)-3-(7-(diethylamino)-2-oxo-2H-chromen-3-yl)acrylonitrile [ No CAS ]
YieldReaction ConditionsOperation in experiment
With piperidine In ethanol for 13h; 2.3. General procedure for synthesis of styryl derivatives of 4 and 5 General procedure: 2-(Benzo[d]azol-2-yl)acetonitrile (1.2 mmol) was dissolved in ethanol (10 mL) and the reaction mixture was cooled to 5 °C and 7-(diethylamino)-3-formyl-2-oxo-2H-chromene-4-carbonitrile 5 or 7-(diethylamino)-2-oxo-2H-chromene-3-carbaldehyde 4 (1.2 mmol) was added to it in a single portion, piperidine (0.1 mL) was added to it. The mixture was stirred at 5 °C for an hour and allowed to attain room temperature (~26 °C). The reaction was monitored by TLC and was completed in 12 h. The reaction mass was then poured to ice-water (25 mL) and extracted with chloroform. The organic layer was washed with water and brine, dried with sodium sulphate and evaporated under reduced pressure to give the styryl derivative.
Reference： [1]Tathe, Abhinav B.; Gupta, Vinod D.; Sekar, Nagaiyan [Dyes and Pigments, 2015, vol. 119, p. 49 - 55]
  • 22
  • [ 1438-16-0 ]
  • [ 57597-64-5 ]
  • (3-((7-(diethylamino)-2-oxo-2H-chromen-3-yl)methylene)amino)-2-thioxothiazolidin-4-one [ No CAS ]
Reference： [1]Organic and Biomolecular Chemistry,2015,vol. 13,p. 8822 - 8826
  • 23
  • [ 2361-27-5 ]
  • [ 57597-64-5 ]
  • C19H19N3O3S [ No CAS ]
YieldReaction ConditionsOperation in experiment
85% In ethanol for 16h; Reflux; 1 Example 1 Preparation of medium molecular probe CMTAH To a solution of coumarin aldehyde (200 mg, 0.81 mmol) in absolute ethanol (EtOH, 30 mL) was added 2-thiophenehydrazide (116 mg, 0.81 mmol).After refluxing and mixing at room temperature for 16 hours, the reaction was filtered with a Buchner funnel, and the filter cake was washed with ethanol to obtain CMTAH as a yellow solid.The above yellow solid powder was dissolved in ethanol, and then heated and stirred for filtration. After the filtrate was slowly volatilized, 256 mg of yellow solid powder was obtained, yield: 85%,The nuclear magnetic hydrogen spectrum and nuclear magnetic carbon spectrum can determine that the product is the target small molecule probe, as shown in Figure 10-11
68% In ethanol for 8h; Reflux; 2.1.1 Synthesis of compound 1 General procedure: Compound 1 was synthesized via the condensation reaction between 7-diethylaminocoumarin-3-aldehyde (S) and 2-picolinyl hydrazide (R1). The mixture of 0.49g (0.002mol) of S and 0.27g (0.002mol) of R1 in 50mL ethyl alcohol was heated under reflux for 8h. After cooling to room temperature, yellow precipitate formed. The precipitate was filtered and repeatedly washed with dry ethyl alcohol for several times to get 0.52g bright yellow solid 1 with yield 72%.
In ethanol at 20℃; for 8h; 1 The specific synthesis process is as follows: 7-(diethylamino)-2-oxo-2H-methylene-3-carbaldehyde (150 mg, 0.5mmol) Dissolved in 15 mL ethanol solution,Furan-2-carbohydrazide (120mg, 0.5 mmol) was added at room temperature and stirred, and the reaction was stirred at room temperature for 8 hours. An orange solid was obtained by the reaction and washed and dried with ethanol; the orange solid powder was dissolved in ethanol, then heated and stirred and filtered, and the filtrate was slowly After a few days of volatilization, the pure target product is obtained.
Reference： [1]Current Patent Assignee: WENZHOU MEDICAL UNIVERSITY - CN110950854, 2020, A Location in patent: Paragraph 0034-0038
[2]Wang, Kangnan; Ma, Lin; Liu, Guoqun; Cao, Duxia; Guan, Ruifang; Liu, Zhiqiang [Dyes and Pigments, 2016, vol. 126, p. 104 - 109]
[3]Current Patent Assignee: WENZHOU MEDICAL UNIVERSITY - CN113149974, 2021, A Location in patent: Paragraph 0018; 0020-0021
  • 24
  • [ 51885-81-5 ]
  • [ 57597-64-5 ]
  • C24H22N2O7 [ No CAS ]
Reference： [1]Organic Letters,2015,vol. 17,p. 5978 - 5981
  • 25
  • [ 2555-37-5 ]
  • [ 57597-64-5 ]
  • 7-(diethylamino)-3-(3-(4-hydroxy-2-oxo-2H-chromen-3-yl)-3-oxoprop-1-en-1-yl)-2H-chromen-2-one [ No CAS ]
YieldReaction ConditionsOperation in experiment
70% With piperidine In ethanol for 4h; Reflux; General Procedure for Synthesis of Compound 4a-4c General procedure: 3-Acetyl coumarin derivatives 1a-1c (1 mmol) and7-(diethylamino)-2-oxo- 2H-chromene-3-carbaldehyde 3(0.24 g, 1 mmol) was refluxed in absolute ethanol (15 mL)for a period of 4 h in presence of piperidine (0.01 ml). Thesolution turned orange to red from a yellow colored solution. Reaction was monitored by TLC. After completion of reaction,solution was poured into ice water (30 mL) containing0.2 mL of conc. HCl. The bright orange precipitate of theproduct was filtered and washed with water, dried under vacuumto give the compound 4a-4c.
Reference： [1]Tathe, Abhinav B.; Sekar, Nagaiyan [Journal of Fluorescence, 2016, vol. 26, # 2, p. 471 - 486]
  • 26
  • [ 67-56-1 ]
  • [ 1438-16-0 ]
  • [ 57597-64-5 ]
  • (methyl 2-((2-((7-(diethylamino)-2-oxo-2H-chromen-3-yl)methylene)hydrazinecarbonothioyl)thio)acetate) [ No CAS ]
YieldReaction ConditionsOperation in experiment
for 3h;Reflux; RO was synthesized by adding 2.0mMmethenolic solution of 7-(diethylamino)-2-oxo-2H-chromene-3-carbaldehyde to an equimolar methenolic solution of <strong>[1438-16-0]3-aminorhodanine</strong> and refluxing with constant stirring for threehours. A brick red solid was precipitated which was filtered andwashed with diethylether and finally dried under vacuum overanhydrous CaCl2. RO was characterized through various spectroscopictechniques like IR, 1HNMR spectral studies alongwith mass determination through HRMS.Spectroscopic Characterization Data: IR (cm-1): 3182,2973, 2927, 2869, 2852, 1747, 1701, 1614, 1596, 1571, 1516,1421, 1375, 1356, 1293, 1255, 1191, 1163, 1130, 1097, 1030,878, 823, 769, 674; 1HNMR in CDCl3: delta 1.25 (t, 6H, CH3, J =6.9 Hz), 3.46 (q, 4H, CH2, J = 6.7 Hz), 3.792 (s, 3H, OCH3),4.177 (s, 2H, CH2), 6.602 (s, 1H, Ar-H), 6.76 (d, 1H, Ar-H, J =8.4 Hz), 7.42 (d, 1H, Ar-H, J = 8.7 Hz), 8.074, (s, 1H, Ar-H),8.325 (s, 1H, CH=N), 10.157 (s, 1H, NH); HRMS: m/z calculatedfor [C18H21N3O4S2Na]+ = 430.0871; found = 430.0888.
Reference： [1]Bulletin of the Chemical Society of Japan,2016,vol. 89,p. 754 - 761
  • 27
  • [ 57597-64-5 ]
  • [ 4760-34-3 ]
  • [ 41044-12-6 ]
YieldReaction ConditionsOperation in experiment
81% With sodium hydrogensulfite In methanol Reflux; 7-(Diethylamino)-3-(1-methyl-1H-benzimidazol-2-yl)coumarin (1) N-Methylphenylene-1,2-diamine (0.15 g, 1.2 mmol) was dissolved in 10 mL of methanol and sodium bisulfite (0.12 g, 1.2 mmol) was added. Then, a solution of 7-(diethylamino)-3-formylcoumarin (0.29 g, 1.2 mmol) in methanol (10 mL) was added dropwise with stirring. The mixture was stirred under reflux conditions for 6 h. The solvent was evaporated under reduced pressure and the resulting mixture was dissolved in dichloromethane (50 mL). The organic phase was washed successively with diluted aqueous hydrochloric acid (2 × 50 mL), saturated aqueous sodium bicarbonate (2 × 50 mL) and brine (3 × 50 mL). After dried over Na2SO4, the solvent was evaporated under vacuum. The resulting residue was purified by column chromatography using petroleum ether/ethyl acetate (v/v =3:1) as eluent to afford 1 in 81% yield as yellow solid, m.p. 224-226 °C (lit.13 225-229 °C). IR (KBr) cm-1: 2968, 1698, 1607, 1528, 1260, 1135, 812, 729. 1H NMR (400 MHz, CDCl3): δ 8.20 (s, 1H), 7.78 (dd, J = 7.2 and 2.4 Hz, 1H), 7.41-7.28 (m, 4H), 6.63 (dd, J = 8.8 and 2.4 Hz, 1H), 6.55 (d, J = 2.4 Hz, 1H), 3.82 (s, 3H), 3.46 (q, J = 7.2 Hz, 4H), 1.25 (t, J = 7.2 Hz, 6H). 13C NMR (100 MHz, CDCl3): δ 160.2, 157.5, 151.8, 150.0, 147.2, 142.8, 136.6, 130.1, 122.8, 122.2, 119.5, 110.5, 109.6, 109.5, 108.4, 97.0, 45.0, 31.8, 12.4. HRMS for C21H22N3O2 [M + H]+ calcd 348.1707; found: 348.1716.
Reference： [1]Wang, Xiaolong; Zhou, Jingjing; Yang, Fang; Xue, Ziyan; Xu, Niansheng [Journal of Chemical Research, 2016, vol. 40, # 10, p. 604 - 606]
  • 28
  • [ 57597-64-5 ]
  • [ 83558-87-6 ]
  • C43H34F6N4O6 [ No CAS ]
YieldReaction ConditionsOperation in experiment
50% With sodium acetate; acetic acid; In water; at 90℃; for 10h; 2 g (8.15 mmol) of 7-diethylaminocoumarin-3-aldehyde represented by the formula (pp & quot; 3-1) 1.49 g (4.08 mmol) of 2,2-bis (3-amino-4-hydroxyphenyl) hexafluoropropane and 12.6 g (163 mmol) of sodium acetate were dissolved in 40 mL of glacial acetic acid, Followed by stirring at 90 DEG C for 10 hours.The reaction mixture was then placed in 200 mL of water. The resulting precipitate was filtered, dissolved in dichloromethane, and washed with a separating funnel with water. The dichloromethane layer recovered from the separating funnel was dried over sodium sulfate and then purified by silica gel column chromatography to obtain a compound (Ad2-16). The yield was 1.67 g (2.04 mmol) and the yield was 50%.
50% With sodium ethanolate; In acetic acid; at 90℃; for 10h; (8.15 mmol) of the 7-diethylaminocoumarin-3-aldehyde represented by the formula (rho3-1), 2,2-bis (3-amino- 4-hydroxyphenyl) hexafluoropropane (1.49 g, 4.08 mmol) and sodium acetate (12.6 g, 163 mmol) were dissolved in 40 mL of glacial acetic acid and stirred at 90 C for 10 hours. The reaction mixture was then placed in 200 mL of water. The resulting precipitate was filtered and dissolved in methylene chloride and washed with water in a separatory funnel. The dichloromethane layer recovered from the separatory funnel was dried with sodium sulfate and then purified by silica gel column chromatography to obtain the compound (1-1). The yield was 1.67 g (2.04 mmol) in 50% yield.
Reference： [1]Patent: KR2015/140231,2015,A .Location in patent: Paragraph 0395-0397
[2]Patent: TWI570190,2017,B .Location in patent: Page/Page column 113; 114
  • 29
  • [ 502-97-6 ]
  • [ 57597-64-5 ]
  • 3-(7-(diethylamino)-2-oxo-2H-chromen-3-yl)-2-hydroxyacrylic acid [ No CAS ]
YieldReaction ConditionsOperation in experiment
75% With piperidine; In methanol; for 7h;Reflux; General procedure: A solution of 7-dithylamino, 3-formyl coumarine 1 (0.02 moles, 4.902 g) and active methylene compounds b-f(0.02 moles, Supplemental File), equipped with a magnetic stirrer, was prepared in 15 mL of methanol. After dissolution,a catalytic amount of piperidine was added and the reaction mixture was refluxed for appropriate time (Table 1). After complete reaction, the compounds 1b-1f obtained were separated, washed with methanol and recrystallized in ethanol.
Reference： [1]Letters in Organic Chemistry,2017,vol. 14,p. 2 - 7
  • 30
  • [ 2483-57-0 ]
  • [ 57597-64-5 ]
  • methyl 3-(7-(diethylamino)-2-hydroxy-4-(2-methoxy-1-nitro-2-oxoethyl)-4H-chromen-3-yl)-2-nitroacrylate [ No CAS ]
YieldReaction ConditionsOperation in experiment
70% With piperidine; In methanol; for 5h;Reflux; General procedure: A solution of 7-dithylamino, 3-formyl coumarine 1 (0.02 moles, 4.902 g) and active methylene compounds b-f(0.02 moles, Supplemental File), equipped with a magnetic stirrer, was prepared in 15 mL of methanol. After dissolution,a catalytic amount of piperidine was added and the reaction mixture was refluxed for appropriate time (Table 1). After complete reaction, the compounds 1b-1f obtained were separated, washed with methanol and recrystallized in ethanol.
Reference： [1]Letters in Organic Chemistry,2017,vol. 14,p. 2 - 7
  • 31
  • [ 51473-74-6 ]
  • [ 57597-64-5 ]
YieldReaction ConditionsOperation in experiment
59% With formic acid for 2h; Heating;
Reference： [1]Bochkov, Andrei Y.; Akchurin, Igor O.; Traven, Valerii F. [Heterocyclic Communications, 2017, vol. 23, # 2, p. 75 - 78]
  • 32
  • [ 52509-14-5 ]
  • [ 57597-64-5 ]
  • C16H16ClNO3 [ No CAS ]
YieldReaction ConditionsOperation in experiment
The method for synthesizing the fluorescent probe (I-2) comprises the steps of:A mixture of 0.8 mM 7-N, N-diethylcoumarin-3-aldehyde was addedAnd 1.5 mM (1,3-dioxolan-2-yl) methyltriphenylphosphonium bromide were dissolved in 8 mL of dry CH2Cl2, stirred at room temperature for 0.6 h, and then 0.23 mL of 0.3 g / mL NaOH solution was slowly added,Stirring at room temperature for 10h; then add 1.15mL of concentrated HCl, stirring 30min, spin dry solvent,Get orange yellow probe,The column was separated by column chromatography to obtain a fluorescent probe (I-2).
Reference： [1]Patent: CN107098915,2017,A .Location in patent: Paragraph 0037; 0038; 0039; 0040
  • 33
  • 7-diethylamino-3-(2,3-dihydro-1,3-benzothiazol-2-yl)coumarin [ No CAS ]
  • [ 38215-36-0 ]
  • [ 57597-64-5 ]
YieldReaction ConditionsOperation in experiment
In toluene Irradiation;
Multi-step reaction with 2 steps 1: acetic anhydride / 12 h / 20 °C / Inert atmosphere 2: toluene / Irradiation
Reference： [1]Traven, Valerii F.; Cheptsov, Dmitrii A.; Solovjova, Natalya P.; Chibisova, Tatjana A.; Voronov, Ilya I.; Dolotov, Sergei M.; Ivanov, Ivan V. [Dyes and Pigments, 2017, vol. 146, p. 159 - 168]
[2]Traven, Valerii F.; Cheptsov, Dmitrii A.; Solovjova, Natalya P.; Chibisova, Tatjana A.; Voronov, Ilya I.; Dolotov, Sergei M.; Ivanov, Ivan V. [Dyes and Pigments, 2017, vol. 146, p. 159 - 168]
  • 34
  • 7-diethylamino-3-(3-acetyl-2,3-dihydro-1,3-benzothiazol-2-yl)coumarin [ No CAS ]
  • [ 38215-36-0 ]
  • [ 57597-64-5 ]
YieldReaction ConditionsOperation in experiment
In toluene Irradiation;
Reference： [1]Traven, Valerii F.; Cheptsov, Dmitrii A.; Solovjova, Natalya P.; Chibisova, Tatjana A.; Voronov, Ilya I.; Dolotov, Sergei M.; Ivanov, Ivan V. [Dyes and Pigments, 2017, vol. 146, p. 159 - 168]
  • 35
  • 7-diethylamino-3-(3-formyl-2,3-dihydro-1,3-benzothiazol-2-yl)coumarin, [ No CAS ]
  • [ 38215-36-0 ]
  • [ 57597-64-5 ]
YieldReaction ConditionsOperation in experiment
In toluene Irradiation;
Reference： [1]Traven, Valerii F.; Cheptsov, Dmitrii A.; Solovjova, Natalya P.; Chibisova, Tatjana A.; Voronov, Ilya I.; Dolotov, Sergei M.; Ivanov, Ivan V. [Dyes and Pigments, 2017, vol. 146, p. 159 - 168]
  • 36
  • [ 123-75-1 ]
  • [ 5520-66-1 ]
  • [ 57597-64-5 ]
  • C30H38N3O2(1+)*Cl(1-) [ No CAS ]
Reference： [1]Journal of the American Chemical Society,2018,vol. 140,p. 1870 - 1875
  • 37
  • [ 2301-80-6 ]
  • [ 57597-64-5 ]
  • (E)-4-(2-(7-(diethylamino)-2-oxo-2H-chromen-3-yl)vinyl)-1-methylpyridin-1-ium [ No CAS ]
YieldReaction ConditionsOperation in experiment
62% With ammonium acetate In ethanol at 80℃;
52% With piperidine In methanol for 2h; Reflux; General procedure for the synthesis of mono-styryl dyes by Knoevenagel condensation General procedure: A mixture of the heterocyclic salt I17-I18 (1 mmol), aldehyde (1.5 mmol), and piperidine (0.10 mL, 1 mmol) in MeOH (5 mL) was heated under reflux for 2 h. After cooling toroom temperature, the precipitated solid was collected by filtration, washed with MeOH (2 × 5mL), Et2O (2 × 5 mL), dried and recrystallized from a suitable solvent (as indicated below), togive the analytically pure dye as an iodide salt.
Reference： [1]Jana, Palash; Radhakrishna, Mithun; Kanvah, Sriram; Khatua, Saumyakanti [Physical Chemistry Chemical Physics, 2018, vol. 20, # 19, p. 13263 - 13270]
[2]Xie, Xiao; Zuffo, Michela; Teulade-Fichou, Marie-Paule; Granzhan, Anton [Beilstein Journal of Organic Chemistry, 2019, vol. 15, p. 1872 - 1889]
  • 38
  • [ 29636-94-0 ]
  • [ 57597-64-5 ]
  • C27H31N2O3(1+)*Br(1-) [ No CAS ]
Reference： [1]Chemical Communications,2018,vol. 54,p. 5094 - 5097
  • 39
  • [ 30186-18-6 ]
  • [ 57597-64-5 ]
  • C22H20BrNO4 [ No CAS ]
YieldReaction ConditionsOperation in experiment
87% With pyrrolidine; In ethanol; at 20℃; for 12h; 1.07g (5.0mmol) of 4-bromo-2-hydroxylacetophenone and 1.23g (5.0mmol) of 7-(diethylamino)coumarinaldehyde as starting materials with 20mL anhydrous ethanol as solvent were added in 50mL of round flask. 0.4mL (0.36g, 5.0mmol) of pyrrolidine was added as catalyst. After the mixture was stirred for 12h at room temperature, red precipitates was formed. The precipitates was filtered, washed three times with ethanol and purified via silica gel column chromatography (dichloromethane/petroleumether, 3:1, v/v). 1.92g of compound 1 as red solid was obtained with a yield 87%. M.p. 215-216C. 1H NMR (400MHz, DMSO-d6), delta (ppm): 1.15 (t, J=7.2Hz, 6H), 3.50 (t, J=7.2Hz, 4H), 6.62 (d, J=2.4Hz, 1H), 6.82 (dd, J=9.2, 2.4Hz, 1H), 6.98 (d, J=8.8Hz, 1H), 7.52 (d, J=9.2Hz, 1H), 7.67 (dd, J=8.8, 2.4Hz, 1H) 7.75 (d, J=15.2Hz, 1H), 8.01 (d, J=15.2Hz, 1H), 8.06 (d, J=2.4Hz, 1H), 8.56 (s, 1H), 12.28 (s, 1H). 13C NMR (100MHz, CDCl3), delta: 12.65, 45.29, 97.12, 109.16, 109.91, 110.62, 114.55, 120.46, 120.65, 121.72, 130.48, 132.34, 138.86, 141.93, 147.44, 152.49, 157.02, 160.25, 162.62, 193.61. MS for (M+H)+, Calcd exact mass: 442.0654, found 442.0628.
Reference： [1]Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy,2018,vol. 205,p. 514 - 519
  • 40
  • [ 57597-64-5 ]
  • [ 89-36-1 ]
  • C24H23N3O6S [ No CAS ]
Reference： [1]European Journal of Organic Chemistry,2018,vol. 2018,p. 6494 - 6498
  • 41
  • [ 13121-99-8 ]
  • [ 57597-64-5 ]
  • 3-(7-diethylamino-2-oxo-2H-chromen-3-yl)-2-pyridin-4-yl-acrylonitrile [ No CAS ]
YieldReaction ConditionsOperation in experiment
85% With piperidine In ethanol for 8h; Reflux;
80% With piperidine In ethanol for 6h; Reflux;
68% With piperidine In ethanol at 60℃; for 6h;
68% With piperidine In ethanol at 60℃; for 6h; 1.2 (2) Preparation of Compound 4: Compound 3 (6 mmol, 1.48 g)And 4-pyridine acetonitrile (7 mmol, 0.83 g) was dissolved in 20 mL of absolute ethanol, and then 10 drops of piperidine;After the reaction system was stirred at 60 ° C for 6 hours, the heating was stopped and naturally cooled to room temperature.The precipitated solid is filtered under reduced pressure.Drying gave Compound 4 as a brown solid 1.43 g, yield 68%.Due to poor solubility, this intermediate is difficult to structurally characterize by nuclear magnetic resonance.The compound is therefore directly fed to the next reaction.
In acetonitrile for 6h; Reflux; 2.2. Synthesis of the probes 7-N,N-diethylaminocoumarin-3-formaldehyde (0.180 g, 0.73 mmol)and 4-pyridineacetonitrile (0.087 g, 0.73 mmol) were placed in a 50 mL of flask with 20 mL dry acetonitrile. After the mixture was refluxed for 6h, the crude product was filtered, washed and dried with acetonitrile. The single crystals used to structural analysis were obtained with acetonitrile (1a)/dichloromethane (1b) by solvent evaporation method. Probe 1: 1H NMR (400 MHz, CDCl3), : 1.26 (t, J 7.2 Hz, 6H), 3.48 (q,J 7.2 Hz, 4H), 6.50 (d, J 2.4 Hz, 1H), 6.65 (dd, J 9.2, 2.4 Hz, 1H),7.43 (d, J 8.8 Hz, 1H), 7.55-7.58 (m, 2H), 8.10 (s, 1H), 8.66-8.68 (m,2H), 8.82 (s, 1H). 13C NMR (101 MHz, CDCl3), : 12.55, 45.25, 97.18,106.18, 108.55, 110.11, 112.52, 117.53, 119.63, 131.35, 138.02,141.80, 142.14, 150.55, 152.73, 157.22, 161.62. For [M+H] m/z 346.1556. Found: [M+H] m/z 346.1635.

Reference： [1]Jana, Palash; Kanvah, Sriram; Siva, Aravintha; Soppina, Virupakshi [Organic and biomolecular chemistry, 2020, vol. 18, # 29, p. 5608 - 5616]
[2]Jana, Palash; Patel, Nishaben; Soppina, Virupakshi; Kanvah, Sriram [New Journal of Chemistry, 2019, vol. 43, # 2, p. 584 - 592]
[3]Li, Jun; Cui, Yuanchao; Bi, Chenxi; Feng, Shaoqiong; Yu, Fengzhen; Yuan, En; Xu, Shengzhen; Hu, Zhe; Sun, Qi; Wei, Dengguo; Yoon, Juyoung [Analytical Chemistry, 2019, vol. 91, # 11, p. 7360 - 7365]
[4]Current Patent Assignee: HUAZHONG AGRICULTURAL UNIVERSITY - CN110041314, 2019, A Location in patent: Paragraph 0027; 0030; 0033
[5]Cao, Duxia; Liu, Zhiqiang; Ma, Shuyue; Wang, Kangnan; Wu, Xiangwen; Xing, Miaomiao; Yu, Xuelai; Zhang, Yixin [Dyes and Pigments, 2020, vol. 182]
  • 42
  • [ 80-65-9 ]
  • [ 57597-64-5 ]
  • DAOC-AOZ [ No CAS ]
Reference： [1]New Journal of Chemistry,2019,vol. 43,p. 2649 - 2657
  • 43
  • [ 43056-63-9 ]
  • [ 57597-64-5 ]
  • DAOC-AMOZ [ No CAS ]
YieldReaction ConditionsOperation in experiment
In methanol; aq. phosphate buffer; water; acetonitrile for 0.333333h; Microwave irradiation; Sealed tube; Heating;
Reference： [1]Luo, Xianzhu; Sun, Zhiwei; Wang, Xu; Yu, Yanxin; Ji, Zhongyin; Zhang, Shijuan; Li, Guoliang; You, Jinmao [New Journal of Chemistry, 2019, vol. 43, # 6, p. 2649 - 2657]
  • 44
  • [ 29636-94-0 ]
  • [ 57597-64-5 ]
  • C27H30N2O3 [ No CAS ]
Reference： [1]Chemical Communications,2019,vol. 55,p. 1112 - 1115
[2]Chemical Communications,2020,vol. 56,p. 5617 - 5620
  • 45
  • [ 52-67-5 ]
  • [ 57597-64-5 ]
  • C19H24N2O4S [ No CAS ]
YieldReaction ConditionsOperation in experiment
72% In methanol; water; at 0 - 80℃; for 2h;Inert atmosphere; Specifically, 123 mg (0.50 mmol) of the raw material aldehyde-based coumarin was weighed and added to a mixed solvent of 20 mL of methanol and water (in which the volume ratio of methanol to water was 1:1) to obtain a reaction liquid.Under a N2 protection, <strong>[52-67-5]D-penicillamine</strong> 89 mg (0.60 mmol) was added to the reaction mixture at 0 C, and the reaction was carried out at reflux temperature 80 C for 2 h.The mixed solvent was dried under reduced pressure and the residue was evaporated and evaporated.The organic phases were combined and washed sequentially with 1M hydrochloric acid and saturated sodium chloride.The organic phases were combined, dried over anhydrous sodium sulfate and filtered, and then evaporated.After separation by silica gel column chromatography, the eluent was dichloromethane: methanol: formic acid volume ratio of 60:2:1, and a total of 135 mg of the fluorescent probe I was isolated (72% yield).Show).
Reference： [1]Patent: CN109970730,2019,A .Location in patent: Paragraph 0073-0078
  • 46
  • [ 769-92-6 ]
  • [ 57597-64-5 ]
  • [ 6217-22-7 ]
  • 3-(9-(4-(tert-butyl)phenyl)-9H-pyreno[4,5-d]imidazole-10-yl)-7-(diethylamino)coumarin [ No CAS ]
YieldReaction ConditionsOperation in experiment
50% With ammonium acetate; acetic acid; at 120℃; for 12h;Inert atmosphere; General procedure: A mixture of 9,10-Phenanthraquinone (0.90 g, 4.32 mmol), 4-tert-butylaniline (0.80 g, 5.36 mmol), 7-(diethylamino)coumarin-3-carbaldehyde(1.06 g, 4.32 mmol) and NH4OAc (4.0 g, 51.89 mmol) with120 mL of AcOH was stirred at 120 C for 12 h under nitrogen atmosphere.After cooling down, the reaction mixture was poured into waterand extracted with dichloromethane (3 100 mL). The organic phasewas washed with water (2 100 mL) and dried over anhydrous Na2SO4.After removal of solvent, the residue was purified by silica gel columnchromatography using ethyl acetate/petroleum ether (1:1, v/v) aseluent to obtain yellow solid (1.21 g, 50%).
Reference： [1]Dyes and Pigments,2020,vol. 173
  • 47
  • [ 33898-90-7 ]
  • [ 57597-64-5 ]
  • (E)-3-[7-(diethylamino)-2-oxo-chromen-3-yl]-2-(thiophene-2-carbonyl)prop-2-enenitrile [ No CAS ]
YieldReaction ConditionsOperation in experiment
72% With piperidine In ethanol Reflux; A round-bottomed flask (25 mL) equipped with reflux condenser was charged with aldehyde 1 (245 mg, 1 mmol), 3-oxo-3-(2-thienyl)propanenitrile (200 mg, 1.3 mmol), 3 drops of piperidine and ethanol (15 mL). The contents was refluxed for 3 h. After cooling the resulted red precipitate was filtered off and crystallized from toluene. To prepare an analytical sample the resulted compounds was purified on column packed with silica gel Merck 60 (70-230 mesh) using toluene and subsequently toluene/ethyl acetate (3:1) mixture as eluent. Dark crystals with green metallic luster, 273 mg, 72%, mp. 210-11 °C. 13C NMR(150MHz, CDCl3): 179.01; 161.11; 158.06; 153.68; 148.61; 144.39; 142.07; 135.04; 133.95; 132.28; 128.45; 118.32; 111.19; 110.45; 108.84; 105.26; 97.20; 45.45; 12.54. 1H NMR(300 MHz, CDCl3): 8.96(s, 1H); 8.58(1H, s); 7.73(dd, J = 4.96 Hz, J = 1.01 Hz); 7.44(d, J = 9.08 Hz); 7.19-7.18(m, 1H); 6.65(dd, J = 9.03 Hz, J = 2.48 Hz, 1H); 6.47(d, J = 2.19 Hz, 1H); 3.49(q, 4H); 1.26(t, 6H). Anal. calcd for C21H18N2O3S: C 66.67%; H 4.79%; N 7.40%; Found C 66.53%; H 4.71%; N 7.28%.
Reference： [1]Kolbus, Anna; Danel, Andrzej; Grabka, Danuta; Kucharek, Mateusz; Szary, Karol [Journal of Fluorescence, 2019, vol. 29, # 6, p. 1393 - 1399]
  • 48
  • [ 1078-28-0 ]
  • [ 57597-64-5 ]
  • C25H24N2O3 [ No CAS ]
YieldReaction ConditionsOperation in experiment
22.7% Dissolve <strong>[1078-28-0]6-methoxy-2-methylquinoline</strong> (200 mg, 1.15 mmol) in ethanol (5 mL), add piperidine (200 muL), stir at room temperature for 30 min, then add compound 7- (diethylamine A) coumarin-3-formaldehyde (283 mg, 1.15 mmol) in dichloromethane solution (2 mL), heated to reflux for 2 h, and monitored by TLC spot plate. When the reaction was completed, the heating was stopped, and the mixture was cooled to room temperature, and a solid precipitated out. The product was vacuum filtered and dried under vacuum to obtain the product small molecule fluorescent probe 3 as an orange-yellow solid (105 mg) with a total yield of 22.7%.
Reference： [1]Patent: CN110655508,2020,A .Location in patent: Paragraph 0022; 0045-0050
  • 49
  • [ 829-45-8 ]
  • [ 57597-64-5 ]
  • methyl -3-(7-(diethylamino)-2-oxo-2H-chromen-3-yl)-2-isonicotinoylacrylate [ No CAS ]
Reference： [1]Chemical Communications,2020,vol. 56,p. 6368 - 6371
  • 50
  • [ 13121-99-8 ]
  • [ 57597-64-5 ]
  • (Z)-3-(7-(diethylamino)-2-oxo-2H-chromen-3-yl)-2-(pyridin-4-yl)acrylonitrile [ No CAS ]
YieldReaction ConditionsOperation in experiment
65% In ethanol at 110℃; 1 Mix 7-(diethylamino)-2-oxo-2H-chromene-3-carbaldehyde (0.25g, 1.01mmol) and 4-pyridineacetonitrile (0.18g, 1.52mmol) in 10ml of absolute ethanol. The mixture is heated at 110°C to react, The reaction period was monitored by thin layer chromatography (TLC). After the reaction was completed, the reaction product was cooled to room temperature. The solvent was removed under reduced pressure, the obtained residue was washed 3 times with ether and n-hexane respectively, absolute ethanol was added to the obtained residue, and the mixture was placed in the refrigerator overnight to precipitate the desired compound. After that, the precipitate was filtered, washed twice with cold ethanol, and dried under vacuum to obtain a black solid. (Z)-3-(7-(Diethylamino)-2-oxo-2H-chromium-3-yl)-2-(pyridin-4-yl)acrylonitrile (0.23g, yield: 65%) .
Reference： [1]Current Patent Assignee: SHANXI UNIVERSITY - CN112079822, 2020, A Location in patent: Paragraph 0052-0053; 0056
  • 51
  • [ 88-74-4 ]
  • [ 57597-64-5 ]
  • [ 27425-55-4 ]
YieldReaction ConditionsOperation in experiment
57.6% With sodium thiosulfate In ethanol at 85℃; for 2h; 1.3 (3) Preparation of fluorescent probe compound 8 The compound 5 (0.25g, 1.0 mmol) and 2 -nitroaniline (0.17g, 1.2 mmol) are dissolved 20 ml anhydrous ethanol, then the sodium thiosulfate solid 0.5g is added, and after the reaction 2h. is completed, the natural cooling reaction liquid is concentrated. The residue was recrystallized from ethyl acetate to give an orange-red solid 0.19g with a yield of 57.6%.
Reference： [1]Current Patent Assignee: CHANGCHUN UNIVERSITY OF TECHNOLOGY - CN113651801, 2021, A Location in patent: Paragraph 0008; 0011-0012
  • 52
  • [ 13221-86-8 ]
  • [ 57597-64-5 ]
  • C21H21N3O5 [ No CAS ]
YieldReaction ConditionsOperation in experiment
95% In ethanol at 75℃; for 0.5h; 1-6 Weigh 0.245g of compound 2 and 0.21g of 2,4-dihydroxybenzoic acid hydrazide, dissolve in 15ml of absolute ethanol, mix well, react at 75°C for 0.5h, cool to room temperature, filter with suction, and dry to obtain compound HQ3 , the final product. Yield: 95%.
Reference： [1]Current Patent Assignee: QILU UNIVERSITY OF TECHNOLOGY (SHANDONG ACADEMY OF SCIENCES) - CN113845503, 2021, A Location in patent: Paragraph 0008; 0032; 0035-0036; 0039-0040; 0043; ...
  • 53
  • [ 13229-03-3 ]
  • [ 57597-64-5 ]
  • 7-(diethylamino)-3-((2-(5-phenyl-1,3,4-thiadiazol-2-yl)hydrazineylidene))methyl-2H-chromen-2-one [ No CAS ]
YieldReaction ConditionsOperation in experiment
60% In ethanol at 80℃; for 0.5h; 2.2 Synthesis of probes X1 and X2 General procedure: The synthetic route of probes X1 and X2 is shown in Scheme 1. Compounds I 0.5mmol (0.1226g) and 0.6mmol compounds II were dissolved in 2mL EtOH and stirred vigorously at 80°C for 0.5h. Then, this mixture was cooled in ice bath. The precipitate was filtered and washed with cold EtOH to get pure target compound,
Reference： [1]Lü, Chengwei; Mo, Mengzhu; Qin, Luyang; Wang, Anqi; Xu, Hejia; Zhou, Yi; Zou, Liwei [Chemical Physics, 2022, vol. 560]
  • 54
  • [ 2510-01-2 ]
  • [ 57597-64-5 ]
  • 2-(2-((7-(N,N-diethylamino)-2-oxo-2H-chromen-3-yl)methylene)-2,3-dihydro-1H-inden-1-ylidene)malononitrile [ No CAS ]
YieldReaction ConditionsOperation in experiment
68% With piperidine In cyclohexane at 20℃; for 6h; 2.3.2. Synthesis of 2-(2-((7-(N,N-diethylamino)-2-oxo-2H-chromen-3-yl)methylene)-2,3-dihydro-1H-inden-1-ylidene)malononitrile (dye 2) To a solution of 2-(2,3-dihydro-1H-inden-1-ylidene)malononitrile(1,20 mmol) in cyclohexane (5-8 mL) were added 7-(N,N-diethylamino)-2-oxo-2H-chromene-3-carbaldehyde (1,00 mmol) and piperidine(0,2 mL). The solution was stirred at room temperature for 6 h.After the completion of the reaction, the participate was filtered, washedwith ethanol and air dried. washed with ethanol and dried. Orangecoloredsolid was obtained in a yield of 68%. Mp: 220 C (decomp.)FT-IR (ATR, max/cm 1): 3202, 3074 (Aromatic and vinylic C-H); 2972(Aliphatic C-H); 2207, 2150 (C≡N); 1708 (C = O); 1614, 1565, 1489 (Ar(C = C)); 1249, 1192, 1131 (C-O ve C-N). 1H NMR (300 MHz CDCl3): δ8.52 (d, J = 8.1 Hz, 1H); 8.38- 7.35 (m, 6H); 6.65 (dd, J = 8.9, 2.5 Hz,1H); 6.44 (d, J = 2.4 Hz, 1H); 3.95 (s, 2H); 3.46 (q, J = 7.1 Hz, 4H); 1.25(t, J = 7.1 Hz, 6H). 13C NMR (101 MHz, DMSO-d6 ppm): δ 161.3, 157.0, 148.3, 144.8, 136.4, 135.0, 132.0, 130.9, 128.5, 126.2, 125.2, 114.3,110.6, 109.40, 97.0, 44.9, 40.7, 40.5, 40.3, 40.1, 39.8, 39.6, 39.4, 37.54,12.9. HRMS (m/z), [M + H]+ C26H21N3O2, calc: 408.1712; found:408.1715. (Supplementary material Fig. S5-8).
Reference： [1]Özbek, Begüm Berna; Aktan, Ebru; Seferoğlu, Zeynel [Journal of Photochemistry and Photobiology A: Chemistry, 2022, vol. 432]

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