107707-33-5|1-(3,5-Dichlorophenyl)thiourea| Ambeed

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Quality Control of [ 107707-33-5 ] Purity: 98+% SDS Specification

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Product Details of [ 107707-33-5 ]

CAS No. :	107707-33-5
Formula :	C₇H₆Cl₂N₂S
M.W :	221.11
SMILES Code :	S=C(N)NC1=CC(Cl)=CC(Cl)=C1
MDL No. :	MFCD00041168
Boiling Point :	No data available
InChI Key :	BNJARXOEVLYKDN-UHFFFAOYSA-N
Pubchem ID :	2737539

Safety of [ 107707-33-5 ]

GHS Pictogram:
Signal Word:	Danger
Hazard Statements:	H301
Precautionary Statements:	P501-P270-P264-P301+P310+P330-P405
Class:	6.1
UN#:	2811
Packing Group:	Ⅲ

Application In Synthesis of [ 107707-33-5 ]

* 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.

Upstream synthesis route of [ 107707-33-5 ]
Downstream synthetic route of [ 107707-33-5 ]

[ 107707-33-5 ] Synthesis Path-Upstream 1~1

1
[ 107707-33-5 ]
[ 158465-13-5 ]

Yield	Reaction Conditions	Operation in experiment
81%	With bromine In chloroform at 0 - 60℃; for 10 h;	j00330j To a solution of compound B-28 (1.0 g, 3.7 mmol) in chloroform (20 mL) at 0 °C was added bromine (1.2 g, 7.4 mmol). The mixture was stirred at 60 °C for 10 hours, then cooled to room temperature and filtered to collect the solid. The solid was washed with acetone (4 x 5 mL), then added into water (45 mL). The mixture was stirred at 95 °C for 30 mm, then adjusted to pH 9 with sodium hydroxide (0.5 M). The solid was collected by filtration and dried in vacuo to give compound B-29 (0.68 g, 81percent yield) as a purple gray solid. ‘H-NMR (CDC13, 400 MHz): 7.43 (d, J=1.6 Hz, 1H), 7.15 (d, J1.6 Hz, 1H), 5.32 (bs, 2H).
42%	With dioxane dibromide In 1,4-dioxane; chloroform at 0 - 80℃; for 23 h; Inert atmosphere	In the (3,5-dichlorophenyl) thiourea (5 00mg, 2.26mg)The chloroform solution (4.0 ml), andIn a nitrogen environment at 0 ° CBromo-1,4-dioxane was added fathoms complexCompound (5 61mg, 2.26mol),The 0 ° C was stirred for 1.0 hours at 80 ° C for 22 h.The reaction mixture was cooled, concentrated under reduced pressure and the residue thus obtained was washed with water, recrystallized from ethanol. The powder separated by filtration to obtain it, and the filtrate was concentrated under reduced pressure and the obtained residue was washed with ethanol, collected by filtration to filter powder. Merger of two kinds of powder, to obtain the title compound (209mg, 42percent).

References: [1] Patent: WO2017/69980, 2017, A1, . Location in patent: Paragraph 00329; 00330.
[2] Farmaco, 1998, vol. 53, # 12, p. 752 - 757.
[3] Patent: TW2016/5805, 2016, A, . Location in patent: Paragraph 0372; 0373.

[ 107707-33-5 ] Synthesis Path-Downstream 1~35

1
[ 1147550-11-5 ]
[ 626-43-7 ]
[ 107707-33-5 ]

Yield	Reaction Conditions	Operation in experiment
	With hydrogenchloride; In water; at 90℃; for 2h;	General procedure: 3,4-difluoroaniline (1.29 g, 10.0 mmol) was dissolved in hydrochloric acid. Ammonium thiocyanate (1.17 g, 15.4 mmol) in water was added and the mixture was stirred at 90C for 2 h. After reaction mixture was cooled to room temperature, and extracted with ethyl acetate, the organic layer was dried over anhydrous Na2SO4, filtered and concentrated in vacuo and then purified by silica gel chromatography. 1-(3,4-dichlorophenyl)thiourea and trifluorobromoacetone (0.710 g, 3.72 mmol) were dissolved in ethanol (5 mL) and stirred at 90C for 2 h. After reaction mixture was extracted with ethyl acetate, the organic layer was dried over anhydrous sodium sulfate, filtered, and evaporated to give compound 7 as a white crystal (0.130 g, 0.464 mmol).

References: [1]European Journal of Medicinal Chemistry,1990,vol. 25,p. 81 - 85.
[2]Bioorganic and Medicinal Chemistry Letters,2019,vol. 29,p. 938 - 942.

2
[ 107707-33-5 ]
[ 74-88-4 ]
1-(3,5-dichloro-phenyl)-2-methyl-isothiourea; hydriodide [ No CAS ]

References: [1]Bioorganic and Medicinal Chemistry Letters,2005,vol. 15,p. 5154 - 5159.

3
[ 107707-33-5 ]
[ 105-56-6 ]
[ 953777-28-1 ]

Yield	Reaction Conditions	Operation in experiment
75%		A suspension of 3,5-dichlorophenylthiourea (1.5 g, 6.8 mmol) in absolute ethanol (5 niL) and sodium ethoxide (21 wt% in ethanol, 5 mL) was heated at reflux. Ethyl cyanoacetate (1.5 g, 13.6 mmol) dissolved in ethanol (5 mL) was added during 30 minutes. Heating was continued for Ih. Additional ethyl cyanoaceate (0.5 g) in ethanol (1 mL) was added and heating was continued for another 1 h. After cooling to r.t. the reaction mixture was diluted with water (20 mL) and neutralized using 2M sulfuric acid. The solid was collected by filtration, washed with water and dried, giving the title compound (1.5 g, 75%). The crude product was used in the next step without further purification.1H NMR (DMSOd6) δ ppm 11.98 (br s, IH), 7.70 (t, J=I.8 Hz, IH), 7.46 (m, 2H), 6.27 (br s, 2H), 4.92 (s, IH), MS (ESI) m/z 289 (M +1).

References: [1]Patent: WO2007/120097,2007,A1 .Location in patent: Page/Page column 33.

4
[ 107707-33-5 ]
{3-[5-(3,5-dichloro-phenylamino)-4H-[1,2,4]triazol-3-yl]-pyridin-2-yl}-(3,5-dimethoxy-phenyl)-amine [ No CAS ]

References: [1]Bioorganic and Medicinal Chemistry Letters,2005,vol. 15,p. 5154 - 5159.

5
[ 107707-33-5 ]
[2-(3,5-dichlorophenylamino)thiazol-5-yl]-(2-fluorophenyl)methanone [ No CAS ]

References: [1]Bioorganic and Medicinal Chemistry Letters,2005,vol. 15,p. 1599 - 1603.

6
[ 107707-33-5 ]
[ 131105-96-9 ]