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Chemical Structure| 81-04-9 Chemical Structure| 81-04-9

Structure of 1,5-Naphthalenedisulfonic acid
CAS No.: 81-04-9

Chemical Structure| 81-04-9

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Product Details of [ 81-04-9 ]

CAS No. :81-04-9
Formula : C10H8O6S2
M.W : 288.30
SMILES Code : O=S(C1=C2C=CC=C(S(=O)(O)=O)C2=CC=C1)(O)=O
MDL No. :MFCD00003996
InChI Key :XTEGVFVZDVNBPF-UHFFFAOYSA-N
Pubchem ID :6666

Safety of [ 81-04-9 ]

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

Application In Synthesis of [ 81-04-9 ]

* 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 [ 81-04-9 ]

[ 81-04-9 ] Synthesis Path-Downstream   1~2

  • 1
  • [ 1227633-49-9 ]
  • [ 81-04-9 ]
  • 4-(2-(2-(benzo[b]thiophen-3-yl)-9-isopropyl-9H-purin-6-ylamino)ethyl)phenol napadisylate [ No CAS ]
YieldReaction ConditionsOperation in experiment
In N,N-dimethyl-formamide; at 20 - 87℃; for 18.5h; The napadisylate salt of SRi can be prepared as follows:<strong>[1227633-49-9]4-(2-(2-(benzo[b]thiophen-3-yl)-9-isopropyl-9H-purin-6-ylamino)ethyl)phenol</strong> free base (0.60 gram; 1.40 mmoles) and 0.259 gram 1 ,5-naphthalenedisulfonic acid (0.70 mmoles) are dissolved in 9 ml DMF at 87 C. The clear solution is allowed to cool over about 30 minutes to room temperature. Seeds are added at 65 C. and crystallization takes place slowly. The suspension is stirred for about 18 hours at room temperature and filtered. The solid is washed with 4 ml DMF/water 1:1 in two portions and 6 ml water in three portions. The salt is dried as described herein for other salts. The material has a melting point at about 304 C. with a melting enthalpy of 83 g/J. A broad endothermic phenomenon is observed at 107C. that might be attributed to the loss of watetIn another embodiment, the napadysilate salt of SRi comprises the following powder X-ray diffraction peaks (Angle 2-0): 6.4, 9.6, 13.1, 15.7, 16.1, 26.0; and which in an additional embodiment comprises the following powder X-ray diffraction peaks (Angle 2-0): 9.6, 13.1, 15.7, 16.1, 16.4, 20.4, 20.9, 23.7, 26.0, 26.9.
  • 2
  • [ 1004-38-2 ]
  • [ 81-04-9 ]
  • 2C4H7N5*C10H8O6S2 [ No CAS ]
YieldReaction ConditionsOperation in experiment
67% In ethanol; water; for 0.5h; General procedure: To a 10 ml of ethanol-H2O mixed solution containing H2NPA(0.20 mmol) and <strong>[1004-38-2]TAP</strong>I (0.10 mmol) was stirred for half an hourcontinually. The resulting clear solution was evaporated at20e25 C, and an irregular, colorless bulk crystal was obtained afterseven days. The resulting crystals were filtered and dried afterrinsed with ethanol-H2O mixed solution. Yield: 70%. Analysiscalculated for C12H14N6O7: C, 40.64; H, 3.95; N, 23.71%. Found: C,40.35; H, 4.00; N, 23.51%. Infrared spectrum (KBr disc, cm1):3441s, 3409s, 3208m, 3082m, 2416w, 1679s, 1651s, 1607s, 1569s,1538s, 1454m, 1431m, 1413m, 1351s, 1261m, 1155m, 1133w, 1077w,972w, 912m, 843w, 830m, 810m, 782s, 763m, 705s, 661w, 587m,532s.
 

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