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| | 1-Amino-2-(isopropylsulphonyl)benzene Basic information |
| Product Name: | 1-Amino-2-(isopropylsulphonyl)benzene | | Synonyms: | 1-Amino-2-(isopropylsulfonyl)benzene;2-(Isopropylsulphonyl)aniline;2-(Isopropylsulphonyl)aniline 98%;2-(isopropylsulfonyl)benzenaMine;2-(Propane-2-sulfonyl)-phenylaMine;2-(Isopropylsulphonyl)aniline 1-Amino-2-(isopropylsulfonyl)benzene;Benzenamine, 2-[(1-methylethyl)sulfonyl]-;2-AMinophenyl Isopropyl Sulfone | | CAS: | 76697-50-2 | | MF: | C9H13NO2S | | MW: | 199.27 | | EINECS: | | | Product Categories: | | | Mol File: | 76697-50-2.mol |  |
| | 1-Amino-2-(isopropylsulphonyl)benzene Chemical Properties |
| Melting point | 83.0 to 87.0 °C | | Boiling point | 381.1±34.0 °C(Predicted) | | density | 1.194±0.06 g/cm3(Predicted) | | storage temp. | Keep in dark place,Inert atmosphere,Room temperature | | form | solid | | pka | -0.79±0.10(Predicted) | | color | Beige | | InChI | InChI=1S/C9H13NO2S/c1-7(2)13(11,12)9-6-4-3-5-8(9)10/h3-7H,10H2,1-2H3 | | InChIKey | GMLAMRMKROYXNZ-UHFFFAOYSA-N | | SMILES | C1(N)=CC=CC=C1S(C(C)C)(=O)=O |
| Hazard Codes | Xi | | Hazard Note | Irritant | | HS Code | 2930909899 |
| | 1-Amino-2-(isopropylsulphonyl)benzene Usage And Synthesis |
| Uses | 2-Aminophenyl Isopropyl Sulfone is a reagent used in the synthesis of potent and selective anaplastic lymphoma kinase (ALK-5) inhibitors, used as an anti-tumor treatment. | | Synthesis | Step 3: Preparation of 2-(isopropylsulfonyl)aniline (4); 1-(isopropylsulfonyl)-2-nitrobenzene (3, 2 g, 8.73 mmol) was dissolved in methanol (25 ml) to form a homogeneous mixture. 10% palladium carbon (200 mg, 10 mol%) was added to the mixture and the reaction mixture was stirred under hydrogen atmosphere for 6 hours. The progress of the reaction was monitored by thin layer chromatography (TLC) to confirm the complete conversion of feedstock 3 to product 4. Upon completion of the reaction, the mixture was filtered through diatomaceous earth, and the filtrate was concentrated under reduced pressure to afford 2-(isopropylsulfonyl)aniline (4, 1.73 g, quantitative yield).' HNMR (CDCl3): δ 7.66-7.62 (d, 1H), 7.40-7.30 (t, 1H), 6.85-6.78 (t, 1H), 6.73-6.70 (d, 1H), 5.10 (br s, 1H), 3.40-3.30 (m, 1H), 1.30 (s, 6H). | | References | [1] Patent: WO2011/140338, 2011, A1. Location in patent: Page/Page column 46-47
[2] Patent: CN106854200, 2017, A. Location in patent: Paragraph 0064
[3] Patent: CN106146468, 2016, A. Location in patent: Paragraph 0088; 0101; 0102
[4] Patent: CN106336382, 2017, A. Location in patent: Paragraph 0099; 0141; 0142; 0143
[5] Patent: US2018/57457, 2018, A1. Location in patent: Paragraph 0260; 0262 |
| | 1-Amino-2-(isopropylsulphonyl)benzene Preparation Products And Raw materials |
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