[ CAS No. 1268612-27-6 ] {[proInfo.proName]}

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COA NMR CNMR HPLC LC-MS

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SDS Specification

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Product Details of [ 1268612-27-6 ]

CAS No. :	1268612-27-6	MDL No. :	MFCD20260236
Formula :	C₁₅H₁₁ClN₄O₃	Boiling Point :	-
Linear Structure Formula :	-	InChI Key :	-
M.W :	330.73	Pubchem ID :	-
Synonyms :

Safety of [ 1268612-27-6 ]

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Application In Synthesis of [ 1268612-27-6 ]

* 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.

Upstream synthesis route of [ 1268612-27-6 ]
Downstream synthetic route of [ 1268612-27-6 ]

[ 1268612-27-6 ] Synthesis Path-Upstream 1~1

1
[ 6292-59-7 ]
[ 1268612-27-6 ]
[ 150727-06-3 ]

Yield	Reaction Conditions	Operation in experiment
97%	Stage #1: With potassium carbonate In toluene at 50℃; for 0.5 h; Large scale Stage #2: at 110℃; for 10 h; Large scale	A mixture of 4-tet-butyl benzene sulfonamide 6 (0.85 Kg, 4.0 mol), toluene (2.8 L) and potassium carbonate (1.1 Kg, 8.0 mol) was heated to50°C for 30 min. To the reaction mixture was added 5 (1.4 Kg, 4.0 mol) followed by heating to 110°C for 10 h. The reaction mixture was cooledto 25°C, water (28 L) was added and pH was adjusted to below 3 by using 5N hydrochloric acid and stirred for 30 mins. The precipitated solidwas filtered, washed with water (4.8 L) and dried in oven at 60°C for 6 h to afford 7 (2.05 Kg, 97percent). m.p 214-216 οC. 1H-NMR (300MHz,CDCl3): δ 1.21 (9H, s), 3.72 (3H, s), 6.54-6.55 (1H, d), 6.72-6.76 (1H, t), 6.86-6.98 (2H, m), 7.23-7.25 (2H, d), 7.43-7.49 (3H, m), 8.97-8.98(2H, d); MS: m/z 526.3 (M+H); IR (KBr) (υmax, Cm-1): 3466.7 (-NH stretching), 1592.9 (C=O stretching).

Reference： [1] Synlett, 2014, vol. 25, # 2, p. 265 - 269

[ 1268612-27-6 ] Synthesis Path-Downstream 1~1

1
[ 6292-59-7 ]
[ 1268612-27-6 ]
[ 150727-06-3 ]

Yield	Reaction Conditions	Operation in experiment
97%		A mixture of 4-tet-butyl benzene sulfonamide 6 (0.85 Kg, 4.0 mol), toluene (2.8 L) and potassium carbonate (1.1 Kg, 8.0 mol) was heated to50°C for 30 min. To the reaction mixture was added 5 (1.4 Kg, 4.0 mol) followed by heating to 110°C for 10 h. The reaction mixture was cooledto 25°C, water (28 L) was added and pH was adjusted to below 3 by using 5N hydrochloric acid and stirred for 30 mins. The precipitated solidwas filtered, washed with water (4.8 L) and dried in oven at 60°C for 6 h to afford 7 (2.05 Kg, 97percent). m.p 214-216 omicronC. 1H-NMR (300MHz,CDCl3): delta 1.21 (9H, s), 3.72 (3H, s), 6.54-6.55 (1H, d), 6.72-6.76 (1H, t), 6.86-6.98 (2H, m), 7.23-7.25 (2H, d), 7.43-7.49 (3H, m), 8.97-8.98(2H, d); MS: m/z 526.3 (M+H); IR (KBr) (upsilonmax, Cm-1): 3466.7 (-NH stretching), 1592.9 (C=O stretching).

Reference： [1]Synlett,2014,vol. 25,p. 265 - 269

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H412	Harmful to aquatic life with long-lasting effects
H413	May cause long-lasting harmful effects to aquatic life
H420	Harms public health and the environment by destroying ozone in the upper atmosphere

[ CAS No. 1268612-27-6 ] {[proInfo.proName]}

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[ 1268612-27-6 ] Synthesis Path-Upstream 1~1

[ 1268612-27-6 ] Synthesis Path-Downstream 1~1

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