2-Boc-7-bromo-1,2,3,4-tetrahydroisoquinoline - CAS 258515-65-0
Catalog: |
BB019049 |
Product Name: |
2-Boc-7-bromo-1,2,3,4-tetrahydroisoquinoline |
CAS: |
258515-65-0 |
Synonyms: |
7-bromo-3,4-dihydro-1H-isoquinoline-2-carboxylic acid tert-butyl ester; tert-butyl 7-bromo-3,4-dihydro-1H-isoquinoline-2-carboxylate |
IUPAC Name: | tert-butyl 7-bromo-3,4-dihydro-1H-isoquinoline-2-carboxylate |
Description: | 2-Boc-7-bromo-1,2,3,4-tetrahydroisoquinoline (CAS# 258515-65-0) is a useful research chemical. |
Molecular Weight: | 312.20 |
Molecular Formula: | C14H18BrNO2 |
Canonical SMILES: | CC(C)(C)OC(=O)N1CCC2=C(C1)C=C(C=C2)Br |
InChI: | InChI=1S/C14H18BrNO2/c1-14(2,3)18-13(17)16-7-6-10-4-5-12(15)8-11(10)9-16/h4-5,8H,6-7,9H2,1-3H3 |
InChI Key: | PWPKRLMPHNRWHK-UHFFFAOYSA-N |
Boiling Point: | 374.2 °C at 760 mmHg |
Density: | 1.353 g/cm3 |
LogP: | 3.68020 |
Publication Number | Title | Priority Date |
WO-2020116660-A1 | Macrocyclic compound and use thereof | 20181205 |
TW-202039494-A | Macrocyclic compound and use thereof | 20181205 |
CN-113164468-A | Macrocyclic compounds and uses thereof | 20181205 |
EP-3890738-A1 | Macrocyclic compound and use thereof | 20181205 |
KR-20210099622-A | Macrocyclic compounds and their uses | 20181205 |
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 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.3 |
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Related Functional Groups
Quinoline/Isoquinoline
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