2-Boc-6-bromo-1,2,3,4-tetrahydroisoquinoline - CAS 893566-74-0
Catalog: |
BB039438 |
Product Name: |
2-Boc-6-bromo-1,2,3,4-tetrahydroisoquinoline |
CAS: |
893566-74-0 |
Synonyms: |
6-bromo-3,4-dihydro-1H-isoquinoline-2-carboxylic acid tert-butyl ester; tert-butyl 6-bromo-3,4-dihydro-1H-isoquinoline-2-carboxylate |
IUPAC Name: | tert-butyl 6-bromo-3,4-dihydro-1H-isoquinoline-2-carboxylate |
Description: | 2-Boc-6-bromo-1,2,3,4-tetrahydroisoquinoline (CAS# 893566-74-0) is a useful research chemical compound. |
Molecular Weight: | 312.20 |
Molecular Formula: | C14H18BrNO2 |
Canonical SMILES: | CC(C)(C)OC(=O)N1CCC2=C(C1)C=CC(=C2)Br |
InChI: | InChI=1S/C14H18BrNO2/c1-14(2,3)18-13(17)16-7-6-10-8-12(15)5-4-11(10)9-16/h4-5,8H,6-7,9H2,1-3H3 |
InChI Key: | SZIPGDGOBMFCEH-UHFFFAOYSA-N |
Boiling Point: | 374.2 °C at 760 mmHg |
Density: | 1.353 g/cm3 |
LogP: | 3.68020 |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
WO-2021178920-A1 | Compounds for targeted degradation of brd9 | 20200305 |
WO-2021087181-A1 | Substituted pyrazole compounds as toll receptor inhibitors | 20191101 |
WO-2021055936-A1 | Small-molecule inhibitors for the β-catenin/b-cell lymphoma 9 proteinâˆ'protein interaction | 20190920 |
WO-2021052892-A1 | Piperidinyl amine compounds for the treatment of autoimmune disease | 20190916 |
US-2021002229-A1 | Compounds for treatment of pd-l1 diseases | 20190620 |
Complexity: | 313 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 311.05209 |
Formal Charge: | 0 |
Heavy Atom Count: | 18 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 311.05209 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 29.5 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.3 |
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Quinoline/Isoquinoline
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