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| IUPAC Name: | 5,7-dichloro-2-[(2-methylpropan-2-yl)oxycarbonyl]-3,4-dihydro-1H-isoquinoline-6-carboxylic acid |
| Description: | 2-Boc-5,7-dichloro-1,2,3,4-tetrahydroisoquinoline-6-carboxylic Acid (CAS# 851784-82-2) is a reagent in the preparation of N-benzofuranylcarbonyl dichlorotetrahydroisoquinolinylcarbonylmethylsulfonyl L-phenylalanine as LFA-1 inhibitor and polymorph thereof for the treatment of LFA -1 mediated diseases. |
| Molecular Weight: | 346.21 |
| Molecular Formula: | C15H17Cl2NO4 |
| Canonical SMILES: | CC(C)(C)OC(=O)N1CCC2=C(C(=C(C=C2C1)Cl)C(=O)O)Cl |
| InChI: | InChI=1S/C15H17Cl2NO4/c1-15(2,3)22-14(21)18-5-4-9-8(7-18)6-10(16)11(12(9)17)13(19)20/h6H,4-5,7H2,1-3H3,(H,19,20) |
| InChI Key: | JXBQRXIJBFUZMR-UHFFFAOYSA-N |
| Boiling Point: | 468.5±45.0°C (Predicted) |
| Melting Point: | >275°C (dec.) |
| Purity: | ≥95% |
| Density: | 1.379±0.06 g/cm3 (Predicted) |
| Solubility: | Soluble in Chloroform (Sparingly, Sonicated), Methanol (Slightly) |
| Appearance: | White to Off-white Solid |
| Storage: | Store at -20°C |
| LogP: | 3.92270 |
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