2-tert-Butyl 6-methyl 5,7-dichloro-3,4-dihydroisoquinoline-2,6(1H)-dicarboxylate - CAS 851784-80-0
Catalog: |
BB037524 |
Product Name: |
2-tert-Butyl 6-methyl 5,7-dichloro-3,4-dihydroisoquinoline-2,6(1H)-dicarboxylate |
CAS: |
851784-80-0 |
Synonyms: |
5,7-dichloro-3,4-dihydro-2,6(1H)-Isoquinolinedicarboxylic acid, 2-(1,1-dimethylethyl) 6-methyl ester; Methyl 2-Boc-5,7-dichloro-1,2,3,4-tetrahydroisoquinoline-6-carboxylate; 5,7-dichloro-3,4-dihydro-2,6(1H)-Isoquinolinedicarboxylic acid, 2-tert-butyl 6-methyl ester; 6-Methyl 2-(2-methyl-2-propanyl) 5,7-dichloro-3,4-dihydro-2,6(1H)-isoquinolinedicarboxylate |
IUPAC Name: | 2-O-tert-butyl 6-O-methyl 5,7-dichloro-3,4-dihydro-1H-isoquinoline-2,6-dicarboxylate |
Description: | Methyl 2-Boc-5,7-dichloro-1,2,3,4-tetrahydroisoquinoline-6-carboxylate (CAS# 851784-80-0 ) is a useful research chemical. |
Molecular Weight: | 360.23 |
Molecular Formula: | C16H19Cl2NO4 |
Canonical SMILES: | CC(C)(C)OC(=O)N1CCC2=C(C(=C(C=C2C1)Cl)C(=O)OC)Cl |
InChI: | InChI=1S/C16H19Cl2NO4/c1-16(2,3)23-15(21)19-6-5-10-9(8-19)7-11(17)12(13(10)18)14(20)22-4/h7H,5-6,8H2,1-4H3 |
InChI Key: | PRZAATYTHSOJPG-UHFFFAOYSA-N |
Boiling Point: | 467.8±45.0°C at 760 mmHg |
Purity: | ≥95% |
Density: | 1.379±0.1 g/cm3 |
Storage: | Store at 2-8°C |
LogP: | 4.01110 |
Publication Number | Title | Priority Date |
US-2020369651-A1 | A process to obtain a tetrahydroisoquinoline derivative | 20171117 |
US-11001574-B2 | Process to obtain a tetrahydroisoquinoline derivative | 20171117 |
US-2020306242-A1 | Novel process for the preparation of lifitegrast | 20171010 |
US-2014031387-A1 | Lfa-1 inhibitor and methods of preparation and polymorph thereof | 20120725 |
US-2015336939-A1 | Lfa-1 inhibitor and methods of preparation and polymorph thereof | 20120725 |
Complexity: | 466 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 359.0691135 |
Formal Charge: | 0 |
Heavy Atom Count: | 23 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 359.0691135 |
Rotatable Bond Count: | 4 |
Topological Polar Surface Area: | 55.8 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.7 |
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