[3-(Methoxycarbonyl)-2-{[(2-methyl-2-propanyl)oxy]carbonyl}-1,2,3,4-tetrahydro-6-isoquinolinyl]boronic acid
[CAS# 897375-70-1]

Identification

• Name: [3-(Methoxycarbonyl)-2-{[(2-methyl-2-propanyl)oxy]carbonyl}-1,2,3,4-tetrahydro-6-isoquinolinyl]boronic acid
• Synonyms: [3-(Methoxycarbonyl)-2-{[(2-methyl-2-propanyl)oxy]carbonyl}-1,2,3,4-tetrahydro-6-isochinolinyl]borsäure; [3-(Methoxycarbonyl)-2-{[(2-methyl-2-propanyl)oxy]carbonyl}-1,2,3,4-tetrahydro-6-isoquinolinyl]boronic acid; 2,3(1H)-Isoquinolinedicarboxylic acid, 6-borono-3,4-dihydro-, 2-(1,1-dimethylethyl) 3-methyl ester
• Molecular Formula: C₁₆H₂₂BNO₆
• Molecular Weight: 335.16
• CAS Registry Number: 897375-70-1
• SMILES: B(c1ccc2c(c1)CC(N(C2)C(=O)OC(C)(C)C)C(=O)OC)(O)O
• InChI: 1S/C16H22BNO6/c1-16(2,3)24-15(20)18-9-10-5-6-12(17(21)22)7-11(10)8-13(18)14(19)23-4/h5-7,13,21-22H,8-9H2,1-4H3
• InChIKey: JPTWOZDREKFWEN-UHFFFAOYSA-N

Properties

• Density: 1.3±0.1g/cm³ (Cal.)
• Boiling point: 490.7±55.0°C at 760 mmHg (Cal.)
• Flash point: 250.6±31.5°C (Cal.)
• Refractive index: 1.556 (Cal.)