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Chemistry
Organic Building Blocks
Aryls
5-Cyano-2-methylbenzenesulfonyl chloride
Chemistry
Organic Building Blocks
Aryls
Nitriles Sulfonyl Chlorides Aliphatic Chain Hydrocarbons Benzene Compounds

[ CAS No. 372198-49-7 ]

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Cat. No.: {[proInfo.prAm]}
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2D
Chemical Structure| 372198-49-7
Chemical Structure| 372198-49-7
Structure of 372198-49-7 *Storage: {[proInfo.prStorage]}

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Quality Control of [ 372198-49-7 ]

COA NMR CNMR HPLC LC-MS

Related Doc. of [ 372198-49-7 ]

SDS
Alternatived Products of [ 372198-49-7 ]
Alternatived Products of [ 372198-49-7 ]

Product Details of [ 372198-49-7 ]

CAS No. :372198-49-7MDL No. :MFCD09741164
Formula : C8H6ClNO2S Boiling Point : -
Linear Structure Formula :-InChI Key :N/A
M.W :215.66Pubchem ID :16794335
Synonyms :

Computed Properties of [ 372198-49-7 ]

TPSA : - H-Bond Acceptor Count : -
XLogP3 : - H-Bond Donor Count : -
SP3 : - Rotatable Bond Count : -

Safety of [ 372198-49-7 ]

Signal Word:DangerClass:8
Precautionary Statements:P260-P280-P303+P361+P353-P301+P330+P331-P304+P340+P310-P305+P351+P338+P310UN#:3261
Hazard Statements:H314Packing Group:Ⅲ
GHS Pictogram:

Application In Synthesis of [ 372198-49-7 ]

  • Downstream synthetic route of [ 372198-49-7 ]

[ 372198-49-7 ] Synthesis Path-Downstream   1~1

  • 1
  • [ 60710-80-7 ]
  • [ 372198-49-7 ]
YieldReaction ConditionsOperation in experiment
25% 3-Amino-4-methylbenzonitrile (407 mg, 3.09 mmol) was suspended in concentrated HCl (3 mL) at 0 C. A solution of NaNO2 (320 mg, 4.64 mmol) in water (1 mL) was added dropwise over 5 min, and the solution stirred for 45 min. Meanwhile, AcOH (3 mL) was saturated with SO2, then CuCl2·2H2O (158 mg, 0.93 mmol) was added and SO2 bubbled through for a further 5 min. The AcOH mixture was cooled to 5 C, then the diazonium solution added over 5 min. The resulting mixture was stirred for a further 1.5 h, then the precipitate filtered off, washed with a little water and dried to leave 5-cyano-2-methylbenzenesulfonyl chloride as a yellow solid (167 mg, 25%). 1H NMR delta (400 MHz, CDCl3) 8.36 (d, J = 1.7 Hz, 1H), 7.87 (dd, J = 7.9, 1.7 Hz, 1H), 7.58 (d, J = 7.9 Hz, 1H), 2.88 (s, 3H). LC-MS (APCI-) 196 (M-Cl+O, 100%). Reaction of 2 (30 mg, 0.18 mmol) and the above sulfonyl chloride (45 mg, 0.21 mmol) using NaHCO3, after chromatography (eluting with CH2Cl2:MeOH 99.75:0.25) gave 6j as a yellow solid (32 mg, 48%).
25% Step 21.1 : 3-Amino-4-methylbe?zonitrile (52: X = Me1 Y = CN) (407 mg, 3.09 mmol) was suspended in concentrated HCI (3 mL) at 0 0C. A solution of NaNO2 (320 mg, 4.64 mmol) in water (1 mL) was added dropwise over 5 mins, and the solution stirred for 45 mins. Meanwhile, AcOH (3 mL) was saturated with SO2, then CuCI2.2H2O (158 mg, 0.93 mmol) was added and SO2 bubbled through for a further 5 mins. The AcOH mixture was cooled to 5 0C, then the diazonium solution added over 5 mins. The resulting mixture was stirred for a further 1.5h, then the precipitate filtered off, washed with a little water and dried to leave 5-cyano-2-methylbenzenesulfonyl chloride (53: X = Me, Y = CN) as a yellow solid (167 mg, 25%). 1H NMR delta (400 MHz, CDCI3) 8.36 (d, J 1.7 Hz, 1 H), 7.87 (dd, J 7.9, 1.7 Hz, 1 H), 7.58 (d, J 7.9 Hz, 1 H), 2.88 (s, 3H). LCMS (APCI ) 196 (M-CI+O, 100%).
A solution of 3-amino-4-methyl-benzonitrile (454mg) in cone. HCl (3.5mL) and AcOH (4mL) was cooled to -10C. To this was added a solution OfNaNO2 (284mg) in water (2.1ml) dropwise. After stirring for 15 minutes the mixture was added to a cooled (5C) solution of CuCl (85mg) in AcOH (7mL) that had previously been saturated with SO2 gas. The reaction mixture was warmed to room temperature, SO2 was removed in vacuo and then water was added to yield the title compound as a white solid which was collected by filtration. (520mg).
Reference： [1]Bioorganic and Medicinal Chemistry,2012,vol. 20,p. 58 - 68
[2]Patent: WO2009/8748,2009,A1 .Location in patent: Page/Page column 73
[3]Patent: WO2009/93049,2009,A1 .Location in patent: Page/Page column 37

Tags: 372198-49-7 synthesis path| 372198-49-7 SDS| 372198-49-7 COA| 372198-49-7 purity| 372198-49-7 application| 372198-49-7 NMR| 372198-49-7 COA| 372198-49-7 structure

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