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[ CAS No. 120-18-3 ] {[proInfo.proName]}

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Cat. No.: {[proInfo.prAm]}
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Chemical Structure| 120-18-3
Chemical Structure| 120-18-3
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Product Details of [ 120-18-3 ]

CAS No. :120-18-3 MDL No. :MFCD00004089
Formula : C10H8O3S Boiling Point : No data available
Linear Structure Formula :- InChI Key :KVBGVZZKJNLNJU-UHFFFAOYSA-N
M.W : 208.23 Pubchem ID :8420
Synonyms :

Safety of [ 120-18-3 ]

Signal Word:Danger Class:8
Precautionary Statements:P234-P260-P264-P280-P301+P330+P331+P310-P303+P361+P353+P310+P363-P304+P340+P310-P305+P351+P338+P310-P390-P405-P406-P501 UN#:2585
Hazard Statements:H290-H314 Packing Group:Ⅲ
GHS Pictogram:

Application In Synthesis of [ 120-18-3 ]

* 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.

  • Downstream synthetic route of [ 120-18-3 ]

[ 120-18-3 ] Synthesis Path-Downstream   1~3

  • 1
  • [ 532-02-5 ]
  • [ 120-18-3 ]
YieldReaction ConditionsOperation in experiment
With Ion exchange resin (Amberlite) (H+ form); In methanol; Compound C-8 Ion exchange resin (Amberlite) (H+ form) was added to a solution of sodium 2-naphthalenesulfonate in methanol. The mixture was stirred overnight and filtered and the solvent was evaporated. The residue was lyophilized yielding 2-naphthalenesulfonic acid.
  • 2
  • [ 313368-91-1 ]
  • [ 120-18-3 ]
  • 2C10H8O3S*C24H28FN3O [ No CAS ]
YieldReaction ConditionsOperation in experiment
60% In acetone; at 20℃;Inert atmosphere; 1.5 g (3.81 mmol) of the formula (I) lumateperone base according to example 9 is dissolved in 12 ml acetone. The acetone solution of naphthalene-2-sulfonic acid monohydrate (1.726 g, 7.62 mmol) is prepared separately using 2 ml acetone. The acetone solution of naphthalene-2- sulfonic acid monohydrate is added drop by drop at room temperature to the lumateperone base solution in an argon atmosphere. A white crystalline substance precipitates. The suspension is stirred for 1 day at room temperature, then cooled in a ice and water bath, then the crystalline substance is filtered out. The product is then washed on the filter with a little cold acetone. The filtered lumateperone dinapsylate salt is dried until constant weight at 40 C, 2.5 g (83%). The raw product can be further purified using acetonitrile recrystallization (250 ml). 1.8 g (60%) white crystals, mp: 188-192 C. [OI]D25 = 4.4 (c = 1.00, DMF). HPLC purity: 99.628% (figure 8) IR (KBr): 3006, 2621, 2400, 1678, 1599, 1482, 1237, 1167, 1086, 1026, 676 cm 1. 1H-NMR (DMSO-i/e, 400 MHz): 9.10 (b, 1H), 8.14 (bs, 2* lH), 8.04 (~dd, 7i = 5.6 Hz, 72 = 8.8 Hz, 2H), 7.97 (m, 2* 1H), 7.90 (m, 2* lH), 7.86 (d, 7 = 8.5 Hz, 2* lH), 7.71 (dd, 7i =1.7 Hz, J2 = 8.5 Hz, 2* lH), 7.53 (m, 2* lH), 7.51 (m, 2* lH), 7.37 (~t, J = 8.8 Hz, 2H), 6.61 (m, 1H), 6.53 (m, 1H), 6.44 (m, 1H), 3.60 (m, 1H), 3.46 (m, 1H), 3.45 (m, 1H), 3.45 (m, 1H), 3.41 (m, 1H), 3.35 (m, 1H), 3.33 (m, 1H), 3.23 (m, 1H), 3.13 (m, 2H), 3.11 (m, 1H), 3.08 (m, 1H), 3.03 (m, 1H), 2.81 (m, 3H), 2.70 (m, 1H), 2.57 (m, 1H), 2.26 (m, 1H), 2.06 (m, 1H), 2.03 (m, 1H), 2.00 (m, 1H) ppm. 13C-NMR (DMSO- , 100 MHz): 197.37; 165,25 (d, J = 251.6 Hz); 145.74; l37.67w; l35.46w; 133.27 (d, J = 2.9 Hz); 132,90; 132.32; 131.06 (d, J = 9.5 Hz); 128.63; 127.63; 127.49; 127. l2w; 126.61; 126.47; 124.21; 124.14; l20.87w; 115 92 (d, J = 22.0 Hz); H3.42w; 1 l0.07w; 62.30; 55.72; 52.66; 50.07; 47.93; 43.74; 37.56w; 35.02; 21.88; 18.20 (w: weak) ppm. COSY: 8.14-7.71-7.86, 8.04-7.37, 7.97-7.51-7.53-7.90, 6.53-6.61-6.44, (3.60, 2.57)-3.33- 3.23-(2.26, 2.06)-(3.45, 3.03), (3.46, 3.35)-(3.4l, 2.70), 3.l3-(2.03, 2.00)-(3.l l, 3.08). HSQC (140 Hz): 8.14-124.21, 8.04-131.06, 7.97-128.63, 7.90-127.63, 7.86-127.49, 7.71- 124.14, 7.53-126.61, 7.51-126.47, 7.37-115.92, 6.61-120.87, 6.53-113.42, 6.44-110.07, 3.60- 52.66, 3.46-50.07, 3.45-47.93, 3.41-43.74,3.35-50.07, 3.33-38.81, 3.23-62.30, 3.13-35.02, 3.11-55.72, 3.08-55.72, 2.81-37.56, 2.70-43.74, 2.57-52.66, 2.26-21.88, 3.03-47.93, 2.06- 21.88, 2.03-18.20, 2.00-18.20. HMBC (140 Hz, 8 Hz): 8.14-(132.90, 128.63, 124.14), 8.04-Q97.37, 165.25, 131.06), 7.97- (132.90, 126.61), 7.90-(l32.32, 126.47), 7.86-Q45.74, 132.32), 7.71-Q32.90, 124.21), 7.53- (132.90, 128.63), 7.5l-(l32.32, 127.63), 7.37-Q65.25, 133.27, 115.92), 6.61-135.46, 6.53- 110.07, 6.44-137.67, 3.13-(197.37, 18.20), (3.11, 3.08)-l8.20. X-ray powder diffractogram: figure 7
  • 3
  • [ 313368-91-1 ]
  • [ 120-18-3 ]
  • C10H8O3S*C24H28FN3O [ No CAS ]
YieldReaction ConditionsOperation in experiment
0.92 g In acetone; at 20℃; for 24h;Inert atmosphere; Cooling with ice; 1.00 g (2.54 mmol) formula (I) lumateperone base according to example 9 is dissolved in 6 ml acetone and in an argon atmosphere 0.575 g (2.54 mmol) naphthalene-2-sulfonic acid monohydrate is added to this in a single portion. The salt precipitates almost immediately after the acid has been dissolved. The suspension is stirred at room temperature for 24 hours, then cooled for 30 minutes in an ice and water bath. The salt is filtered using a glass filter, then washed with about 0.5 ml cold acetone. 1.10 g mononapsylate is obtained, which is purified further by recrystallization from 60 ml isopropanol. 0.92 g white crystalline product is obtained, mp: 165-172 C. lHNMR (DMSO- e, 400 MHz): 8.14 (d, J= 0.6 Hz, 1H), 8.04 (~dd, J = 5.5 Hz, j2 = 9.0 Hz, 2H), 7.97 (m, 1H), 7.90 (m, 1H), 7.86 (d, j= 8.6 Hz, 1H), 7.71 (dd, L = 1.6 Hz, j2 = 8.5 Hz, 1H), 7.52 (m, 2H), 7.37 (~t, J= 8.9 Hz, 2H), 6.60 (m, 1H), 6.52 (m, 1H), 6.43 (m, 1H), 3.60 (m, 1H), 3.46 (m, 1H), 3.45 (m, 1H), 3.41 (m, 1H), 3.32 (m, 1H), 3.31 (m, 1H), 3.23 (m, 1H), 3.12 (m, 2H), 3.10 (m, 1H), 3.08 (m, 1H), 3.03 (m, 1H), 2.81 (s, 3H), 2.71 (m, 1H), 2.57 (m, 1H), 2.25 (m, lH), 2.06 (m, 1H), 2.02 (m, 2H) ppm.
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