[ CAS No. 39920-37-1 ] {[proInfo.proName]}

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Quality Control of [ 39920-37-1 ]

COA NMR CNMR HPLC LC-MS

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SDS Specification

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Product Details of [ 39920-37-1 ]

CAS No. :	39920-37-1	MDL No. :	MFCD00002003
Formula :	C₇H₃Cl₂NO	Boiling Point :	-
Linear Structure Formula :	-	InChI Key :	HMVKMAMIRAVXAN-UHFFFAOYSA-N
M.W :	188.01	Pubchem ID :	604537
Synonyms :

Safety of [ 39920-37-1 ]

Signal Word:	Danger	Class:	6.1
Precautionary Statements:	P261-P280-P301+P310-P305+P351+P338-P311	UN#:	2206
Hazard Statements:	H301+H311+H331-H315-H319-H335	Packing Group:	Ⅱ
GHS Pictogram:

Application In Synthesis of [ 39920-37-1 ]

* 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.

Upstream synthesis route of [ 39920-37-1 ]
Downstream synthetic route of [ 39920-37-1 ]

[ 39920-37-1 ] Synthesis Path-Upstream 1~3

1
[ 15307-79-6 ]
[ 59-48-3 ]
[ 87-65-0 ]
[ 15362-40-0 ]
[ 69220-40-2 ]
[ 601-88-7 ]
[ 15307-93-4 ]
[ 10113-35-6 ]
[ 6697-95-6 ]
[ 39920-37-1 ]
[ 13603-93-5 ]
[ 608-31-1 ]

Reference： [1] Revue Roumaine de Chimie, 2014, vol. 59, # 11-12, p. 1021 - 1027

2
[ 15307-79-6 ]
[ 59-48-3 ]
[ 87-65-0 ]
[ 15362-40-0 ]
[ 69220-40-2 ]
[ 601-88-7 ]
[ 15307-93-4 ]
[ 10113-35-6 ]
[ 6697-95-6 ]
[ 39920-37-1 ]
[ 13603-93-5 ]
[ 608-31-1 ]

Reference： [1] Revue Roumaine de Chimie, 2014, vol. 59, # 11-12, p. 1021 - 1027

3
[ 15307-79-6 ]
[ 59-48-3 ]
[ 87-65-0 ]
[ 15362-40-0 ]
[ 69220-40-2 ]
[ 601-88-7 ]
[ 15307-93-4 ]
[ 10113-35-6 ]
[ 6697-95-6 ]
[ 39920-37-1 ]
[ 13603-93-5 ]
[ 608-31-1 ]

Reference： [1] Revue Roumaine de Chimie, 2014, vol. 59, # 11-12, p. 1021 - 1027

[ 39920-37-1 ] Synthesis Path-Downstream 1~20

1
[ 86696-86-8 ]
[ 39920-37-1 ]
4-(2,6-Dichlorphenylaminocarbonyl)-3-(2-thienyl)-tetrahydropyrazin-2-on [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
73%	In toluene for 1h; Ambient temperature;

Reference： [1]Beyerle; Bohn; Schonafinger; et al. [Arzneimittel-Forschung/Drug Research, 1985, vol. 35, # 1, p. 93 - 102]

2
[ 61500-87-6 ]
[ 39920-37-1 ]
2-[3-(2,6-Dichloro-phenyl)-ureido]-4-trifluoromethyl-benzoic acid methyl ester [ No CAS ]

Reference： [1]Journal of Medicinal Chemistry,1998,vol. 41,p. 1060 - 1067

3
[ 39920-37-1 ]
[ 7387-57-7 ]
Acetic acid (2R,3R,4R,5R)-4-acetoxy-5-acetoxymethyl-2-{6-[3-(2,6-dichloro-phenyl)-ureido]-purin-9-yl}-tetrahydro-furan-3-yl ester [ No CAS ]

Reference： [1]Indian Journal of Chemistry - Section B Organic and Medicinal Chemistry,2002,vol. 41,p. 2667 - 2675

4
[ 461-88-1 ]
[ 39920-37-1 ]
1-(2-amino-pyridin-4-yl)-3-(2,6-dichloro-phenyl)-urea [ No CAS ]

Reference： [1]Bioorganic and Medicinal Chemistry,2004,vol. 12,p. 2115 - 2137

5
[ 39920-37-1 ]
[ 21575-13-3 ]
1-(2,6-dichlorophenyl)-3-(6,7-dimethoxyquinazolin-4-yl)urea [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
		4 EXAMPLE 4 1-(2,6-dichlorophenyl)-3-(6,7-dimethoxyquinazolin-4-yl)urea Using an analogous procedure to that described in Example 3, 2,6-dichlorophenyl isocyanate was reacted with 4-amino-6,7-dimethoxyquinazoline (European Patent Application No. 30156, Chemical Abstract volume 95, abstract 187290) to give the title compound; NMR Spectrum: (DMSOd6) 3.96 (s, 3H), 7.31 (m, 2H), 7.38 (t, 1H), 7.5 (d, 2H), 7.6 (d, 2H), 8.43 (s, 1H), 8.7 (s, 1H), 10.61 (s, 1H), 12.09 (s, 1H); Mass Spectrum M+H+ 393 & 395.
		4 1-(2,6-dichlorophenyl)-3-(6,7-dimethoxyquinazolin-4-yl)urea 1-(2,6-dichlorophenyl)-3-(6,7-dimethoxyquinazolin-4-yl)urea Using an analogous procedure to that described in Example 3, 2,6-dichlorophenyl isocyanate was reacted with 4-amino-6,7-dimethoxyquinazoline (European Patent Application No. 30156, Chemical Abstract volume 95, abstract 187290) to give the title compound; NMR Spectrum: (DMSOd6) 3.96 (s, 3H), 7.31 (m, 2H), 7.38 (t, 1H), 7.5 (d, 2H), 7.6 (d, 2H), 8.43 (s, 1H), 8.7 (s, 1H), 10.61 (s, 1H), 12.09 (s, 1H); Mass Spectrum: M+H+ 393 & 395.

Reference： [1]Current Patent Assignee: ASTRAZENECA PLC - US2003/225111, 2003, A1 Location in patent: Page 49
[2]Current Patent Assignee: ASTRAZENECA PLC - US6806274, 2004, B1 Location in patent: Page column 84

6
[ 16245-79-7 ]
[ 39920-37-1 ]
1-(4-octylphenyl)-3-(2,6-dichlorophenyl)urea [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
68%	In toluene	1 Preparation of 1-(4-octylphenyl)-3-(2,6-dichlorophenyl)urea (Compound No. 2 in Table 3) EXAMPLE 1 Preparation of 1-(4-octylphenyl)-3-(2,6-dichlorophenyl)urea (Compound No. 2 in Table 3) To 10.6 ml (5.3 mmol) of a toluene solution of 0.50M 2,6-dichlorophenyl isocyanate was added 1.21 ml (5.32 mmol) of 4-octylaniline at room temperature and the whole was stirred for 16 hours. After removal of the solvent under reduced pressure, the residue was recrystallized from methanol to give 1.42 g (68% yield) of 1-(4-octylphenyl)-3-(2,6-dichlorophenyl)urea, the physical properties of which being shown in the following Table 3. The compounds No. 1, No. 13, No. 14, No. 17, and No. 18 listed in Table 3 were similarly prepared as above.

Reference： [1]Current Patent Assignee: Mitsubishi Chemical Corp (in: MCHC Group); MITSUBISHI CHEMICAL HOLDINGS CORPORATION - US5063247, 1991, A

7
[ 94741-69-2 ]
[ 39920-37-1 ]
[ 1092793-97-9 ]

Yield	Reaction Conditions	Operation in experiment
		Production Example 1 Production of 7-chloro-3-(2,6-dichlorophenyl)-4-imino-3,4-dihydropyrimido[4,5-d]pyrimidin-2(1H)-one 1.12 g of sodium hydride was added to an N,N-dimethylformamide (35 mL) solution of 3.0 g of <strong>[94741-69-2]4-amino-2-chloropyrimidine-5-carbonitrile</strong>, and stirred at room temperature for 5 minutes. 4.38 g of 2,6-dichlorophenyl isocyanate was added to the reaction liquid, and stirred at room temperature for 1 hour. Ethyl acetate and aqueous 1 N hydrochloric acid solution were added to the reaction solution, and the organic layer was separated. This was washed with saturated saline water, dried with anhydrous magnesium sulfate, and the solvent was evaporated away. The precipitated solid was solidified with a mixed solvent of methanol/ethyl acetate and taken out through filtration to obtain 3.8 g of the entitled compound as a white solid. 1H-NMR (400 MHz, DMSO-d6) delta: 9.33 (1H, s), 7.66 (2H, d, J=8.2 Hz), 7.53 (1H, t, J=8.2 Hz) ESI-MS Found: m/z [M+H] 342
		1.12 g of sodium hydride was added to an Lambda^/V-dimethylformamide (35 mL) solution containing 3.O g of <strong>[94741-69-2]4-amino-2-chloropyrimidin-5-carbonitrile</strong>, and the mixture was stirred for 5 minutes at room temperature. Then, 4.38 g of 2,6-dichlorophenyl isocyanate was added to the reaction mixture, which was then stirred for 1 hour at room temperature. Thereafter, ethyl acetate and a 1 N hydrochloric acid aqueous solution were added to the reaction mixture to separate the organic layer. After washing with saturated saline, the solution was dried with anhydrous magnesium sulfate, and the solvent was distilled away. The deposited solid was solidified using a methanol-ethyl acetate mixed solvent. After leaching, 3.8 g of a white solid was obtained as a subject compound. iH-NMR (400 MHz, DMSO-d6) delta: 9.33 (IH, s), 7.66 (2H, d, J = 8.2 Hz), 7.53 (IH, t, J = 8.2Hz).
3.8 g		Production of 7-chloro-3 -(2,6-dichlorophenyl)-4-imino-3 ,4-dihydropyrimido [4,5-d]pyrimidin-2(lH)-one: 1.12 g of sodium hydride was added to an N,N-dimethylformamide (35 mL) solution of 3.0 g of 4-amino-2-cUoropyrimidine-5-carbonitrile, and stirred at room temperature for 5 minutes. 4.38 g of 2,6-dichlorophenyl isocyanate was added to the reaction liquid, and stirred at room temperature for 1 hour. Ethyl acetate and aqueous 1 N hydrochloric acid solution were added to the reaction solution, and the organic layer was separated. This was washed with saturated saline water, dried with anhydrous magnesium sulfate, and the solvent was evaporated away. The precipitated solid was solidified with a mixed solvent of methanol/ethyl acetate and taken out through filtration to obtain 3.8 g of the entitled compound as a white solid. iH-NMR (400 MHz, DMSO-d6) delta: 9.33 (IH, s), 7.66 (2H, d, J=8.2 Hz), 7.53 (IH, t, J=8.2 Hz) ESI-MS Found: m/z [M+H] 342

3.8 g		Preparative Example 3-1 Production of 7-chloro-3-(2,6-dichlorophenyl)-4-imino-3,4-dihydropyrimido[4,5-d]pyrimidin- 2(lH)-one 1.12 g of sodium hydride was added to an N,N-dimethylformamide (35 mL) solution of 3.0 g of <strong>[94741-69-2]4-amino-2-chloropyrimidine-5-carbonitrile</strong>, and stirred at room temperature for 5 minutes. 4.38 g of 2,6-dichlorophenyl isocyanate was added to the reaction liquid, and stirred at room temperature for 1 hour. Ethyl acetate and aqueous 1 N hydrochloric acid solution were added to the reaction solution, and the organic layer was separated. This was washed with saturated saline water, dried with anhydrous magnesium sulfate, and the solvent was evaporated away. The precipitated solid was solidified with a mixed solvent of methanol/ethyl acetate and taken out through filtration to obtain 3.8 g of the entitled compound as a white solid. lH-NMR (400 MHz, DMSO-d6) delta: 9.33 (1H, s), 7.66 (2H, d, J=8.2 Hz), 7.53 (1H, t, J=8.2 Hz) ESI-MS Found: m/z [M+H] 342
		1.12 g of sodium hydride was added to an N,N-dimethylformamide (35 mL) solution of 3.0 g of <strong>[94741-69-2]4-amino-2-chloropyrimidine-5-carbonitrile</strong>, and stirred at room temperature for 5 minutes. 4.38 g of 2,6-dichlorophenyl isocyanate was added to the reaction liquid, and stirred at room temperature for 1 hour. Ethyl acetate and aqueous 1 N hydrochloric acid solution were added to the reaction solution, and the organic layer was separated. This was washed with saturated saline water, dried with anhydrous magnesium sulfate, and the solvent was evaporated away. The precipitated solid was solidified with a mixed solvent of methanol/ethyl acetate and taken out through filtration to obtain the entitled compound as a white solid. 1H-NMR (400 MHz, DMSO-d6) delta: 9.33 (1H, s), 7.66 (2H, d, J=8.2 Hz), 7.53 (1H, t, J=8.2 Hz) ESI-MS Found: m/z [M+H] 342.
		Production of 7-chloro-3-(2,6-dicMorophenyl)-4-imino-3,4-dihydropyrimido[4,5-d1pyrimidin-2flHVone 1.12 g of sodium hydride was added to an N,N-dimethylformamide (35 mL) solution of 3.0 g of <strong>[94741-69-2]4-amino-2-chloropyrimidine-5-carbonitrile</strong>, and stirred at room temperature for 5 minutes. 4.38 g of 2,6-dichlorophenyl isocyanate was added to the reaction liquid, and stirred at room temperature for 1 hour. Ethyl acetate and aqueous 1 N hydrochloric acid solution were added to the reaction solution, and the organic layer was separated. This was washed with saturated saline water, dried with anhydrous magnesium sulfate, and the solvent was evaporated away. The precipitated solid was solidified with a mixed solvent of methanol/ethyl acetate and taken out through filtration to obtain 3.8 g of the entitled compound as a white solid. lH-NMR (400 MHz, DMSO-d6) delta: 9.33 (IH5 s), 7.66 (2H5 d, J=8.2 Hz), 7.53 (IH, t, J=8.2 Hz)ESI-MS Found: m/z [M+H] 342

Reference： [1]Patent: EP2168966,2010,A1 .Location in patent: Page/Page column 38
[2]Patent: WO2010/67886,2010,A1 .Location in patent: Page/Page column 62
[3]Patent: WO2013/39854,2013,A1 .Location in patent: Page/Page column 34
[4]Patent: WO2014/62454,2014,A1 .Location in patent: Page/Page column 37-38
[5]Patent: US2016/8361,2016,A1 .Location in patent: Paragraph 0169
[6]Patent: WO2009/151997,2009,A1 .Location in patent: Page/Page column 25

8
[ 776-53-4 ]
[ 39920-37-1 ]
[ 1092795-08-8 ]

Yield	Reaction Conditions	Operation in experiment
		Production Example 52 Production of 3-(2,6-dichlorophenyl)-7-(methylthio)pyrimido[4,5-d]pyrimidin-2,4(1H,3H)-dione 315 mg of sodium hydride was added to an N,N-dimethylformamide (15 mL) solution of 1.0g of ethyl 4-amino-2-(methylthio)pyrimidin-5-carboxylate, and stirred at room temperature for 5 minutes. 970 mg of 2,6-dichlorophenylisocyanate was added to the reaction liquid, and stirred at room temperature for 1 hour. Ethyl acetate and aqueous 1 N hydrochloric acid solution were added to the reaction solution, and the organic layer was separated. This was washed with saturated saline water, dried with anhydrous sodium sulfate, and the solvent was evaporated away. The precipitated solid was solidified with methanol, and the solid was taken out through filtration to obtain 1.43 g of the entitled compound as a white solid. 1H-NMR (400MHz, DMSO-d6) delta: 12.93 (1H, brs), 9.01 (1H, s), 7.68 (2H, d, J=8.0Hz), 7.54 (1H, t, J=8.0Hz), 2.57 (3H, s) ESI-MS Found: m/z [M+H] 354
		Production Example 1Production of 3-(2,6-dichlorophenyl)-7-(methylsulfanyl) pyrimido[4,5-d1pyrimidine-2,4( 1 H,3HV dioneTo a solution of 1.0 g of ethyl 4-amino-2-(methylsulfanyl) pyrimidine-5- carboxylate in 15 niL of N,N-dimethylformamide, 315 mg of sodium hydride was added, and the resulting mixture was stirred at room temperature for 5 minutes. To the reaction mixture, 970 mg of 2,6-dichlorophenyl isocyanate was added, and the resulting mixture was stirred at room temperature for 1 hour. To the reaction mixture, ethyl acetate and a 1 N aqueous hydrochloric acid solution were added and the organic layer was separated. The organic layer was washed with saturated saline and dried over anhydrous sodium sulfate, and then, the solvent was distilled off. The precipitated solid was solidified with methanol and collected by filtration, whereby 1.43 g of the title compound was obtained as a white solid. iH-NMR (400 MHz, DMSO-d) delta: 12.93 (IH, br s), 9.01 (IH, s), 7.68 (2H, d, J = 8.0 Hz), 7.54(IH, t, J = 8.0 Hz). 2.57 (3H, s). ESI-MS Found: m/z[M+H] 354

Reference： [1]Patent: EP2168966,2010,A1 .Location in patent: Page/Page column 84
[2]Patent: WO2010/67888,2010,A1 .Location in patent: Page/Page column 70
[3]ACS Medicinal Chemistry Letters,2015,vol. 6,p. 58 - 62

9
[ 94741-69-2 ]
[ 39920-37-1 ]
[ 1092793-92-4 ]

Reference： [1]Patent: WO2013/39854,2013,A1

10
[ 63746-12-3 ]
[ 39920-37-1 ]
C₁₆H₁₀Cl₂N₂O₄ [ No CAS ]

Reference： [1]Journal of Agricultural and Food Chemistry,2014,vol. 62,p. 11786 - 11796

11
[ 15307-79-6 ]
[ 59-48-3 ]
[ 87-65-0 ]
[ 15362-40-0 ]
[ 69220-40-2 ]
[ 601-88-7 ]
[ 15307-93-4 ]
[ 10113-35-6 ]
[ 6697-95-6 ]
[ 39920-37-1 ]
[ 13603-93-5 ]
[ 608-31-1 ]

Yield	Reaction Conditions	Operation in experiment
	With dihydrogen peroxide; iron(II); In water; at 20℃;pH 2.0;	General procedure: For the Fenton degradation experiment, 10 mL of a Milli Q water sample acidified at pH 2 with 100 muL H2SO4 0.5 mol/L containing 200 ng of each studied anti-inflammatory drug (diclofenac sodium, ibuprofen and ketoprofen) was placed into a 50 mL brown glass bottle. Immediately, 500 muL of Fe2+solution (1 mg/mL Fe2+) and 200 muL of H2O2 (30percent) were added into the brown bottle which was kept under magnetic stirring and room temperature for different time intervals in order to perform the degradation process. Because the catalyst (Fe2+) and the oxidant (H2O2) are consumed very fast, these were refreshed at each 30 minutes in the same amounts as it was described previously. To study the Fenton oxidative process efficiency over the selected drugs, different experiments at 30, 60 and 120 minutes were performed. After each Fenton oxidative experiment, the degradation by-products of NAIDs were extracted with organic solvent and analyzed by GC×GC-qMS.

Reference： [1]Revue Roumaine de Chimie,2014,vol. 59,p. 1021 - 1027

12
[ 94741-69-2 ]
[ 39920-37-1 ]
3-(2,6-dichlorophenyl)-4-imino-7-[(2'-methyl-2',3'-dihydro-1'H-spiro[cyclopropane-1,4'-isoquinolin]-7'-yl)amino]-3,4-dihydropyrimido[4,5-d]pyrimidin-2(1H)-one dihydrochloride [ No CAS ]

Reference： [1]Patent: US2016/8361,2016,A1

13
[ 39920-37-1 ]
[ 111635-08-6 ]
N-(2,6-dichlorophenyl)-1-methyl-3,4-dihydroisoquinoline-2(1H)-carboxamide [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
30%	With triethylamine; In tetrahydrofuran; at 60.0℃;	D. l . Synthesis of N-(2,6-dichlorophenyl)-1 -methyl-3,4-dihydroisoquinoline-2(1 H)-carbox- amide 118 and enantiomers. CAS RN 39920-37-1 CAS RN 4965-09-7 8 commercial commercial To a solution of 1 -methyl-1 ,2,3,4-tetrahydroisoquinoline hydrochloride (commercial, 500 mg, 2.72 mmol) in THF (5 mL) were added TEA (1 .2 mL, 8.5 mmol) and 1 ,3-dichloro-2- isocyanatobenzene (commercial, 522 mg, 2.72 mmol). The mixture was stirred overnight at 60 C, then concentrated under vacuum. The residue was taken up with DCM (100 mL), then the solution was successively washed with a 1 N aqueous solution of NaOH (50 mL) and a 1 N aqueous solution of HCI (50 mL). The organic layer was dried over MgS04, filtered and concentrated under vacuum. The residue was purified by reverse phase chromatography (basic mode, standard LC) to afford 273 mg of N-(2,6-dichlorophenyl)-1 - methyl-3,4-dihydroisoquinoline-2(1 H)-carboxamide 118 as a white solid. Yield: 30% LCMS (ES+): 335/337/339 (M+H)+, 98.8% purity.

Reference： [1]Patent: WO2016/55479,2016,A1 .Location in patent: Page/Page column 183

14
[ 39920-37-1 ]
[ 111635-08-6 ]
(1S)-N-(2,6-dichlorophenyl)-1-methyl-3,4-dihydroisoquinoline-2(1H)-carboxamide [ No CAS ]
(1R)-N-(2,6-dichlorophenyl)-1-methyl-3,4-dihydroisoquinoline-2(1H)-carboxamide [ No CAS ]

Reference： [1]Patent: WO2016/55479,2016,A1

15
[ 17583-40-3 ]
[ 39920-37-1 ]
3-(2,6-dichlorophenyl)-3,4-dihydro-4-imino-1-methylquinazolin-2(1H)-one [ No CAS ]

Reference： [1]Angewandte Chemie - International Edition,2017,vol. 56,p. 587 - 590
Angew. Chem.,2017,vol. 129,p. 602 - 605,4

16
[ 17583-40-3 ]
[ 39920-37-1 ]
8-chloro-5-methylbenzo[4,5]imidazo[1,2-c]quinazolin-6(5H)-one [ No CAS ]

Reference： [1]Angewandte Chemie - International Edition,2017,vol. 56,p. 587 - 590
Angew. Chem.,2017,vol. 129,p. 602 - 605,4

17
[ 144-82-1 ]
[ 39920-37-1 ]
4-[(2,6-Dichlorophenyl)carbamoyl]amino}-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzenesulfonamide [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
	In acetone; at 20 - 80℃; for 6.5h;	General procedure: Compounds 1-8 were reported in the previous study.[20] Compound 9 was synthesized and characterized for the first time inthis study according to the following method. <strong>[144-82-1]Sulfamethizole</strong>(0.00105 mol) was solved in acetone, at 80C. Then, a solution ofthe suitable isocyanate (0.00105 mol) in dry acetone was addedto two parts, over 30min. After 6 h the reaction was finalized byTLC control and left overnight. The precipitate was filtered off,dried and purified with ethanol.

Reference： [1]Phosphorus, Sulfur and Silicon and the Related Elements,2018,vol. 193,p. 528 - 534

18
[ 39920-37-1 ]
[ 84807-09-0 ]
N-(2,6-dichlorophenyl)-4-(1H-indol-4-yl)piperazine-1-carboxamide [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
	In dichloromethane; for 0.5h;	General procedure: The synthesis of 1-(aryl)piperazine urea derivatives 1a, 1g-1i, 1l-1w, 2a-2j, 2l, 2n-2p, 2t-2as, 2aw, 2ba, 4c and 4f was accomplished by dropwise addition, with stirring, of 0.1 mmol aryl isocyanate solution in 0.5 mL dichloromethane to a 0.5 mL dichloromethane solution of 0.1 mmol 1-(aryl)piperazine and 0.11 mmol trimethylamine (Scheme 1). After 30 minutes, reaction mixtures were diluted as necessary with dichloromethane for complete solution and purified by normal phase chromatography utilizing gradients of hexanes and ethyl acetate.

Reference： [1]Bioorganic and Medicinal Chemistry Letters,2018,vol. 28,p. 2675 - 2678

19
[ 116895-09-1 ]
[ 39920-37-1 ]
1-(4-chloro-6-(diethylamino)pyrimidin-2-yl)-3-(2,6-dichlorophenyl)urea [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
	In dichloromethane at 20℃; for 12h;	3.9. General Synthesis Procedure for Target Compounds 1-30 General procedure: Compounds 1-30 were synthesized according to [20,21]. Substituted benzamide (5.0 mmol) and1,2-dichloroethane (10 mL) were added to a 100 mL three-necked flask under N2. The reaction mixturewas cooled to 0 °C and oxalyl chloride (1.27 g, 10.0 mmol) was added dropwise under stirring, thenthe mixture was stirred at room temperature for 1 h, left standing at 60 °C for 3 h and refluxed for1 h. The solvent and excess oxalyl chloride were evaporated under reduced pressure to give a yellowtransparent liquid. Anhydrous dichloromethane (5 mL) was added to the residue, then a substituted2-aminopyrimidine (2.5 mmol) was added to the system and reacted at room temperature for 12 h.The solvent was removed under reduced pressure and the residue was purified by flash columnchromatography on silica gel to give compounds 1-30.

Reference： [1]Chen, Peiqi; Song, Xiangmin; Fan, Yongmei; Kong, Weihao; Zhang, Hao; Sun, Ranfeng [Molecules, 2018, vol. 23, # 9]

20
[ 39920-37-1 ]
[ 79878-27-6 ]
 N-(2,6-dichlorophenyl)-2-(1-ethyl-7-methyl-4-oxo-1,4-dihydro-1,8-naphthyridine-3-carbonyl)hydrazinecarboxamide [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
64.5%	In ethanol; for 5h;Reflux;	General procedure: A mixture of Nalidixic acid hydrazide 2 (0.25g, 1mmol) and the appropriate aryl isocyanate (1mmol) in absolute ethanol was heated under reflux for 5h. The reaction mixture was left to cool and the formed precipitate was filtered, dried and recrystallized from 95% ethanol to afford white solid (7a.b). White solid; mp: 308-310?C; yield: 0.28?g, 64.50%; IR (KBr) numax: 3294 (NH), 1693 (C=O), 1643 (C=O) cm-1; 1H NMR (400?MHz, DMSO-d6): delta 1.41 (t, 3H, CH3, J?=?7.0?Hz), 2.69 (s, 3H, CH3), 4.61 (q, 2H, CH2, J?=?7.0?Hz), 7.30 (t, 1H, ArH, J?=?8?Hz), 7.50-7.53 (m, 3H, ArH), 8.54 (s, 1H, NH, D2O exchangeable), 8.60 (d, 1H, ArH, J?=?8.0?Hz), 8.81 (s, 1H, NH, D2O exchangeable), 9.08 (s, 1H, ArH) and 11.28 (s, 1H, NH, D2O exchangeable) ppm; 13C NMR (100?MHz, DMSO-d6): delta 15.45, 25.31, 46.54, 111.92, 117.47, 118.62, 119.86, 121.96, 128.47, 128.88, 128.98, 136.38, 141.52, 147.81, 148.43, 148.53, 163.75, 163.84 and 175.89?ppm; MS [m/z, %]: 435 [M+1??+, 0.23], 434 [M.+, 0.09] and 215 [M - C7H6Cl2N3O??+, 100]; Anal. Calcd for C19H17Cl2N5O3 (434.28): C, 52.55; H, 3.95; N, 16.13. Found: C, 52.78; H, 4.07; N, 16.40.

Reference： [1]Bioorganic Chemistry,2019,vol. 83,p. 262 - 276

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[ CAS No. 39920-37-1 ] {[proInfo.proName]}

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[ 39920-37-1 ] Synthesis Path-Upstream 1~3

[ 39920-37-1 ] Synthesis Path-Downstream 1~20

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