2-Boc-1,2,3,4-tetrahydroisoquinoline-6-carboxylic Acid - CAS 170097-67-3
Catalog: |
BB012605 |
Product Name: |
2-Boc-1,2,3,4-tetrahydroisoquinoline-6-carboxylic Acid |
CAS: |
170097-67-3 |
Synonyms: |
2-[(2-methylpropan-2-yl)oxy-oxomethyl]-3,4-dihydro-1H-isoquinoline-6-carboxylic acid; 2-[(2-methylpropan-2-yl)oxycarbonyl]-3,4-dihydro-1H-isoquinoline-6-carboxylic acid |
IUPAC Name: | 2-[(2-methylpropan-2-yl)oxycarbonyl]-3,4-dihydro-1H-isoquinoline-6-carboxylic acid |
Description: | 2-Boc-1,2,3,4-tetrahydroisoquinoline-6-carboxylic Acid (CAS# 170097-67-3) is the starting material used to prepare benzazole derivatives as β-secretase inhibitors useful in treatment and prevention of diseases. |
Molecular Weight: | 277.32 |
Molecular Formula: | C15H19NO4 |
Canonical SMILES: | CC(C)(C)OC(=O)N1CCC2=C(C1)C=CC(=C2)C(=O)O |
InChI: | InChI=1S/C15H19NO4/c1-15(2,3)20-14(19)16-7-6-10-8-11(13(17)18)4-5-12(10)9-16/h4-5,8H,6-7,9H2,1-3H3,(H,17,18) |
InChI Key: | UHOIFEOHBGCPHE-UHFFFAOYSA-N |
Boiling Point: | 429.3 °C at 760 mmHg |
Density: | 1.221 g/cm3 |
Appearance: | Solid |
LogP: | 2.61590 |
GHS Hazard Statement: | H302 (25%): 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-2021028645-A1 | Plasma kallikrein inhibitors | 20190809 |
WO-2021028649-A1 | Plasma kallikrein inhibitors | 20190809 |
US-2020024266-A1 | Inhibitors of cyclin-dependent kinases | 20180629 |
BR-112020026748-A2 | CYCLINE DEPENDENT KINASE INHIBITORS | 20180629 |
CN-112638373-A | Cyclin-dependent kinase inhibitors | 20180629 |
Complexity: | 388 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 277.13140809 |
Formal Charge: | 0 |
Heavy Atom Count: | 20 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 277.13140809 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 66.8 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.2 |
Online Inquiry
Customer Support
Customer Centered
Related Functional Groups
Carbonyl Compounds
Customers Also Viewed
INDUSTRY LEADERS TRUST OUR PRODUCTS