2-Propanethiol → HCID 60859782, compound

HRID 923106Notes

Reaction equation

HRID 923106 reaction equation
F[C:2]1[CH:9]=[CH:8][C:5]([C:6]#[N:7])=[CH:4][CH:3]=1.[CH3:10][CH:11]([SH:13])[CH3:12]>>[CH:11]([S:13][C:2]1[CH:9]=[CH:8][C:5]([C:6]#[N:7])=[CH:4][CH:3]=1)([CH3:12])[CH3:10]

Participants

3

Reactant 2

HCID 63642-PropanethiolHCID 145174-Fluorobenzonitrile

Product 1

HCID 60859782HCID 60859782, compound

Procedure

2 g of 4-fluorobenzonitrile was used in Procedure Q with 2-propanethiol to afford 4-(isopropylthio)benzonitrile. 900 mg of 4-(isopropythio)benzonitrile was reacted via Procedure T to give 4-(isopropylthio)benzoic acid. 730 mg of 4-(isopropylthio)benzoic acid was reacted via Procedure R to give 4-(isopropylsulfonyl)benzoic acid. 75 mg of 4-chloro-3-(pyridin-2-yl)aniline was coupled to 4-(isopropylsulfonyl)benzoic acid via Procedure G. The product was purified on reverse phase HPLC to yield N-(4-chloro-3-(pyridin-2-yl)phenyl)-4-(isopropylsulfonyl)benzamide. MS (Q1) 415.0 (M)

Sources & evidence

ORD record
ord-546c2a7bb69641ca88ade30fa8489d34
Source dataset
uspto-grants-2016_03
Patent number
US09278961B2

Reaction notes

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