261763-18-2|4-(Bromomethyl)-2-chloro-1-(trifluoromethoxy)benzene| Ambeed

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Quality Control of [ 261763-18-2 ] Purity: 98% SDS Specification

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Product Details of [ 261763-18-2 ]

CAS No. :	261763-18-2
Formula :	C₈H₅BrClF₃O
M.W :	289.48
SMILES Code :	FC(F)(F)OC1=C(Cl)C=C(CBr)C=C1
MDL No. :	MFCD01631560
InChI Key :	YTXRMMJPEBWDPE-UHFFFAOYSA-N
Pubchem ID :	2773849

Safety of [ 261763-18-2 ]

GHS Pictogram:
Signal Word:	Danger
Hazard Statements:	H314
Precautionary Statements:	P280-P305+P351+P338-P310
Class:	8
UN#:	3261
Packing Group:	Ⅲ

Application In Synthesis of [ 261763-18-2 ]

* 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 [ 261763-18-2 ]

[ 261763-18-2 ] Synthesis Path-Downstream 1~19

1
C₁₅H₂₂N₄O [ No CAS ]
[ 261763-18-2 ]
C₂₃H₂₆ClF₃N₄O₂ [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
64%	With potassium carbonate; In N,N-dimethyl-formamide; at 20℃;	A mixture of final compound 2-056 (150 mg, 0.55 mmol), 3-chloro-4- (trifluoromethoxy)benzyl bromide (0.16 ml, 0.55 mmol) and K2CO3 (150 mg, 1.1 mmol) in DMF (2 ml) was stirred overnight at room temperature . The resulting reaction mixture was then filtered through a pad of celite and washed with AcOEt. The filtrate was concentrated in vacuo and the residue thus obtained was purified by flash <n="68"/>chromatography to yield the desired compound. The compound was then recrystallised from diethylether to yield the final compound 2-022 (170 mg, 64 %).

References: [1]Patent: WO2007/104783,2007,A2 .Location in patent: Page/Page column 65-66.

2
[ 261763-18-2 ]
3-chloro-4-(trifluoromethoxy)benzenemethanethiol [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
		To a solution of 3-chloro-4-(trifluoromethoxy)benzylbromide (5g) in ethanol (100 ml) was added thiourea (5g) and the mixture heated under reflux for 2 hours. The mixture was evaporated to dryness and the residue taken up into water (100 ml). To this solution was added sodium hydroxide pellets (3 g) and the mixture heated under reflux for 1 hour. The mixture was allowed to cool to room temperature and acidified with concentrated hydrochloric acid, the mixture was extracted with ether, dried and evaporated to give the subtitle compound as a colourless waxy solid (3.5g). NMR δH (CDCl3) 7.35-7.09 (3H, m), 3.58 (2H, s).

References: [1]Patent: EP1348709,2003,A2 .Location in patent: Page/Page column 21.

3
[ 261763-18-2 ]
[ 771581-60-3 ]

Yield	Reaction Conditions	Operation in experiment
		Preparation 16; 1-[3-chloro-4-(thfluoromethoxy)phenvl1methanamine; To a solution of 3-chloro-4-(thfluoromethoxy)benzyl bromide (10.0g, 34.5mmol) in DMF (10OmL) was added phthalimide (5.6g, 38.0mmol) and potassium carbonate (7.15g, 51.8mmol) and the mixture stirred at 8O0C for 5 hours. The mixture was cooled and treated with water (10OmL) and the resulting white precipitate filtered, washed with water and dried in vacuo. This crude solid (16g) was suspended in methylamine (10OmL of a 40% aqueous solution) and water (10OmL) and heated in a bomb at 100 0C for 3 hours. Additional methylamine (10OmL of a 40% aqueous solution) was added and heating at 100 0C continued for 8 hours. The reaction was then cooled to room temperature and diluted with brine (30OmL) and TBME (30OmL). The organic layer was separated, dried (Na2SO4) then concentrated in vacuo to provide the title compound as a yellow oil (9.Og, crude quant.). This material was used crude for subsequent reactions. 1H NMR (de-DMSO): 3.71 (s, 2 H), 7.37-7.41 (m, 1 H), 7.44-7.48 (m, 1 H), 7.63 (d, 1 H)

References: [1]Patent: WO2010/35166,2010,A1 .Location in patent: Page/Page column 75.
[2]MedChemComm,2017,vol. 8,p. 1255 - 1267.

4
[ 261763-18-2 ]
[ 1262007-89-5 ]
C₂₇H₂₈ClF₃N₂O₆ [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
	With caesium carbonate; In N,N-dimethyl-formamide; at 20℃; for 16h;	tert-Butyl 6-hydroxy-l-(2-methoxy-2-oxoethyl)-3,4-dihydro-lH-pyrido[3,4-b]indole- 2(9H)-carboxylate (0.1 g, 0.277 mmol), 4-(bromomethyl)-2-chloro-l-(trifluoromethoxy)benzene (0.080 g, 0.277 mmol), and cesium carbonate (0.108 g, 0.333 mmol) were suspended in DMF (2.0 mL) and stirred at room temperature for 16 h. The solids were removed by filtration and the filtrate was concentrated under reduced pressure. The concentrate was dissolved in dioxane (4.0 mL) and 1.0 M aqueous LiOH (0.83 mL) was added. The reaction was stirred at room temperature for 16 h. 4.0 M HCl in dioxane (4.0 mL) was added and the reaction was stirred for 20 min and then concentrated under reduced pressure. The residue was dissolved in MeOH (1.0 mL) and water (15.0 mL) was added. The turbid mixture was stirred for 16 h and then filtered to give a tan solid. The tan solid was triturated with methanol to give the title compound (HCl salt, 23.0 mg). LCMS m/z = 455.4 [M+Η]+; 1H NMR (400 MHz, DMSO-<4) δ 2.57 (dd, J = 16.2, 9.0 Hz, IH), 2.68-2.76 (m, 3H), 3.10-3.18 (m, IH), 3.25-3.33 (m, IH), 4.45-4.51 (m, IH), 5.14 (m, 2H), 6.81 (dd, J= 8.7, 2.3 Hz, IH), 7.03 (d, J= 2.3 Hz, IH), 7.23 (d, J= 8.7 Hz, IH), 7.54-7.60 (m, 2H), 7.78 (d, J= 1.1 Hz, IH), 10.8 (s, IH).

References: [1]Patent: WO2011/5295,2011,A1 .Location in patent: Page/Page column 75.

5
[ 261763-18-2 ]
[ 1219687-06-5 ]