Back
HuagongsheHuagongshe Chemistry Print Report · For research reference only
HRID 1427841Generated: November 2, 2026

Diisopropylethylamine → 5-chloro-4-((2,2-dimethylchroman-7-yloxy)methyl)-N-(N,N-dimethylsulfamoyl)-2-fluorobenzamide

https://huagongshe.com/reaction/1427841

Reaction equation

Participants

RoleNameHCIDCharge
ReactantDiisopropylethylamineHCID 81531—
ReactantN,N-DimethylsulfamideHCID 134472—
ReactantMethanaminium, N-((dimethylamino)(3H-1,2,3-triazolo(4,5-b)pyridin-3-yloxy)methylene)-N-methyl-, hexafluorophosphate(1-) (1:1)HCID 9886157—
Reactant5-Chloro-4-((2,2-dimethylchroman-7-yloxy)methyl)-2-fluorobenzoic acidHCID 86702866—
SolventHydrochloric AcidHCID 313—
SolventDimethylformamideHCID 6228—
Product5-chloro-4-((2,2-dimethylchroman-7-yloxy)methyl)-N-(N,N-dimethylsulfamoyl)-2-fluorobenzamideHCID 8670286818%

Reaction Steps

A mixture of 5-chloro-4-((2,2-dimethylchroman-7-yloxy)methyl)-2-fluorobenzoic acid (50 mg, 0.14 mmol), dimethyl(sulfamoyl)amine (26 mg, 0.21 mmol), N,N-Diisopropylethylamine (54 mg, 0.42 mmol) and 2-(7-aza-1H-benzotriazole-1-yl)-1,1,3,3-tetramethyluronium hexafluorophosphate (106 mg, 0.28 mmol) in DMF (2.5 mL) was stirred at room temperature for 16 hrs. The mixture was diluted with HCl (2.0 N, 20 mL) and extracted with EtOAc (50×3 mL). The combined organic layers were washed with brine, dried over Na2SO4, filtered and concentrated. The residue was purified by reverse phase combiflash (15%-25% MeCN in 0.5% NH4HCO3) to give target product (11.8 mg, 18%) as a white solid. LCMS (ESI) Method A: RT=5.57 min, m/z: 471.2 [M+H]; 1H-NMR (500 MHz, MeOH-d4,): δ 7.62 (d, J=6.0 Hz, 1H), 7.31 (d, J=10.5 Hz, 1H), 6.87 (d, J=8.5 Hz, 1H), 6.40 (dd, J=8.0, 2.5 Hz, 1H), 6.24 (d, J=2.5 Hz, 1H), 5.02 (s, 2H), 2.86 (s, 6H), 2.61 (t, J=7.0 Hz, 2H), 1.68 (t, J=7.0 Hz, 2H), 1.20 (s, 6H).

Provenance & Evidence

DOI10.6084/m9.figshare.5104873.v1
Patent numberUS08933236B2
Source datasetuspto-grants-2015_01
ORD IDord-34ca4c1515c74fa8bdb12bb47006ff80
Source noteuspto-grants-2015_01