176225-08-4|2-Bromo-5-(trifluoromethyl)benzene-1-sulfonyl chloride| Ambeed

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Quality Control of [ 176225-08-4 ] Purity: 98% SDS Specification

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Product Details of [ 176225-08-4 ]

CAS No. :	176225-08-4
Formula :	C₇H₃BrClF₃O₂S
M.W :	323.51
SMILES Code :	O=S(C1=CC(C(F)(F)F)=CC=C1Br)(Cl)=O
MDL No. :	MFCD03094395
InChI Key :	CBIFOAHDKKGDAC-UHFFFAOYSA-N
Pubchem ID :	2778613

Safety of [ 176225-08-4 ]

GHS Pictogram:
Signal Word:	Danger
Hazard Statements:	H314
Precautionary Statements:	P280-P305+P351+P338-P310
Class:	8
UN#:	1760
Packing Group:	Ⅱ

Application In Synthesis of [ 176225-08-4 ]

* 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 [ 176225-08-4 ]

[ 176225-08-4 ] Synthesis Path-Downstream 1~1

1
[ 832710-65-3 ]
[ 176225-08-4 ]
[ 1349633-20-0 ]

Yield	Reaction Conditions	Operation in experiment
	With triethylamine; In dichloromethane; for 16h;	2,8-Diazaspiro[4.5]decan-1 -one hydrogen chloride (200 mg, 1.049 mmol) was dissolved in a mixture of triethylamine (0.439 ml, 3.15 mmol) and dichloromethane (10 ml), and 2-bromo-5-(trifluoromethyl)benzenesulfonyl chloride (407 mg, 1 .259 mmol) was added. The reaction mixture was stirred for 16 h and the reaction mixture was concentrated in vacuo. The resulting yellow solid 8-[2-bromo-5- (trifluoromethyl)phenyl]sulfonyl}-2,8-diazaspiro[4.5]decan-1 -one (825 mg, impure) was used in the next reaction without further purification. MS ES+ve m/z 443 (M+H). 8-[2-bromo-5-(trifluoromethyl)phenyl]sulfonyl}-2,8-diazaspiro[4.5]decan-1 -one (825 mg, impure) and potassium carbonate (217 mg, 1.574 mmol) was suspended in 1 ,4- dioxane (10 ml_). Trimethylboroxine (0.219 ml_, 1.574 mmol) and Pd(PPh3)4 (121 mg, 0.105 mmol) were then added and the reaction mixture was heated to 100 C. After 20 h, the reaction was cooled, filtered through a hydrophobic frit, and concentrated in vacuo. The resulting residue was purified by silica column chromatography on SP4 (gradient elution: 0 - 20% MeOH - DCM). The resulting brown residue was further purified on MDAP twice to give 8-[2-methyl-5-(trifluoromethyl)phenyl]sulfonyl}-2,8- diazaspiro[4.5]decan-1 -one (41 mg, 0.107 mmol) as a white solid. 1 H N MR (400 MHz, DMSO-de) delta ppm 1.39 - 1.49 (m, 2 H) 1.58 - 1 .70 (m, 2 H) 1 .89 (t, J=6.80 Hz, 2 H) 2.65 (s, 3 H) 2.84 - 2.95 (m, 2 H) 3.13 (t, J=6.80 Hz, 2 H) 3.54 (ddd, J=12.63, 4.08, 3.95 Hz, 2 H) 7.63 (s, 1 H) 7.74 (d, J=7.95 Hz, 1 H) 7.98 (dd, J=8.03, 1 .40 Hz, 1 H) 8.03 (d, J=1 .21 Hz, 1 H). MS ES+ve m/z 377 (M+H).

References: [1]Patent: WO2011/141729,2011,A1 .Location in patent: Page/Page column 33-34.

Historical Records

Technical Information

• Alkyl Halide Occurrence • General Reactivity • Grignard Reaction • Hiyama Cross-Coupling Reaction • Kinetics of Alkyl Halides • Kumada Cross-Coupling Reaction • Reactions of Alkyl Halides with Reducing Metals • Reactions of Amines • Reactions of Benzene and Substituted Benzenes • Reactions of Dihalides • Stille Coupling • Substitution and Elimination Reactions of Alkyl Halides • Suzuki Coupling

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[ 176225-08-4 ]

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CAS No.: 176225-08-4

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