ChemicalBook--->CAS DataBase List--->84468-15-5

84468-15-5

84468-15-5 Structure

84468-15-5 Structure
IdentificationMore
[Name]

ISOQUINOLINE-5-SULFONYL CHLORIDE
[CAS]

84468-15-5
[Synonyms]

ISOQUINOLINE-5-SULFONYL CHLORIDE
ISOQUINOLINE-5-SULFONYL CHLORIDE, HYDROCHLORIDE
5-Isoquinolinesulfonyl chloride
5-Isoquinolinesulfonylchloride(9CI)
[Molecular Formula]

C9H6ClNO2S
[MDL Number]

MFCD00270016
[Molecular Weight]

227.67
[MOL File]

84468-15-5.mol
Chemical PropertiesBack Directory
[Appearance]

Colourless Crystalline Solid
[Melting point ]

173-183°C
[Boiling point ]

371.2±17.0 °C(Predicted)
[density ]

1.483
[Fp ]

178.3℃
[storage temp. ]

under inert gas (nitrogen or Argon) at 2-8°C
[solubility ]

DMSO (Sparingly, Heated)
[form ]

Solid
[pka]

3.09±0.13(Predicted)
[color ]

White to Off-White
[Stability:]

Moisture Sensitive
[CAS DataBase Reference]

84468-15-5(CAS DataBase Reference)
Safety DataBack Directory
[Risk Statements ]

22-36/37/38
[Safety Statements ]

26-36/37
[HS Code ]

29334900
Raw materials And Preparation ProductsBack Directory
[Raw materials]

Sulfuric acid-->Dichloromethane-->N,N-Dimethylformamide-->Thionyl chloride-->FUMING SULFURIC ACID-->Isoquinoline-->5-Isoquinolinesulfonic acid
[Preparation Products]

1-(5-ISOQUINOLINESULFONYL)PIPERAZINE, DIHYDROCHLORIDE
Hazard InformationBack Directory
[Chemical Properties]

Colourless Crystalline Solid
[Synthesis]

5-Isoquinolinesulfonic acid

27655-40-9

ISOQUINOLINE-5-SULFONYL CHLORIDE

84468-15-5

The general procedure for the synthesis of isoquinoline-5-sulfonyl chloride from 5-isoquinolinesulfonic acid was as follows: 5-isoquinolinesulfonic acid was placed in a round-bottomed flask, 6 mL of thionyl chloride and 1 drop of N,N-dimethylformamide (DMF) were added, and the reaction was carried out at reflux for 3 hours. Upon completion of the reaction, the excess thionyl chloride was removed using a rotary evaporator. Dichloromethane (DCM) was added to the residual solid and the solid product was collected by filtration. The solid was washed three times with DCM and subsequently dried in a vacuum oven to give a white solid intermediate 2 (1 g, 91.9% yield). Intermediate 2 (130.00 mg, 571.01 μmol) was slowly added to a solution of DCM (6 mL) containing ethylenediamine (381.30 μL, 5.71 mmol) under ice-bath conditions. After removing the ice bath, the mixture was allowed to react for 3 h at room temperature. Upon completion of the reaction, the mixture was washed with water to remove the remaining ethylenediamine. The organic phase was removed using a rotary evaporator and the residue was recrystallized by ether to give brown solid 3 (91.8 mg, 60% yield).

[References]

[1] Patent: US2017/37050, 2017, A1. Location in patent: Paragraph 0064; 0068; 0069
[2] Patent: CN106279136, 2017, A. Location in patent: Paragraph 0022
[3] Patent: US5891909, 1999, A
[4] Patent: US6235778, 2001, B1
[5] Patent: EP906091, 2006, B1. Location in patent: Page/Page column 48
Spectrum DetailBack Directory
[Spectrum Detail]

ISOQUINOLINE-5-SULFONYL CHLORIDE(84468-15-5)1HNMR
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