2-Boc-6-(hydroxymethyl)-1,2,3,4-tetrahydroisoquinoline - CAS 622867-52-1
Catalog: |
BB031506 |
Product Name: |
2-Boc-6-(hydroxymethyl)-1,2,3,4-tetrahydroisoquinoline |
CAS: |
622867-52-1 |
Synonyms: |
6-(hydroxymethyl)-3,4-dihydro-1H-isoquinoline-2-carboxylic acid tert-butyl ester; tert-butyl 6-(hydroxymethyl)-3,4-dihydro-1H-isoquinoline-2-carboxylate |
IUPAC Name: | tert-butyl 6-(hydroxymethyl)-3,4-dihydro-1H-isoquinoline-2-carboxylate |
Description: | 2-Boc-6-(hydroxymethyl)-1,2,3,4-tetrahydroisoquinoline (CAS# 622867-52-1) is an intermediate used to prepare phosphonate-substituted HIV protease inhibitors for treatment of AIDS and other viral infections. It is also used in the synthesis of immunosuppressant heterocyclic compdounds for treating or preventing diseases assocd. with EDG receptor mediated signal transduction. |
Molecular Weight: | 263.33 |
Molecular Formula: | C15H21NO3 |
Canonical SMILES: | CC(C)(C)OC(=O)N1CCC2=C(C1)C=CC(=C2)CO |
InChI: | InChI=1S/C15H21NO3/c1-15(2,3)19-14(18)16-7-6-12-8-11(10-17)4-5-13(12)9-16/h4-5,8,17H,6-7,9-10H2,1-3H3 |
InChI Key: | VVTNAXCVGQIIOV-UHFFFAOYSA-N |
LogP: | 2.41000 |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] |
Precautionary Statement: | P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
US-2021205311-A1 | Combination Therapy Comprising A2A/A2B and PD-1/PD-L1 Inhibitors | 20200103 |
US-2021230294-A1 | Cd73 inhibitor and a2a/a2b adenosine receptor inhibitor combination therapy | 20200103 |
WO-2021138512-A1 | Combination therapy comprising a2a/a2b and pd-1/pd-l1 inhibitors | 20200103 |
WO-2021028645-A1 | Plasma kallikrein inhibitors | 20190809 |
WO-2021028649-A1 | Plasma kallikrein inhibitors | 20190809 |
Complexity: | 324 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 263.15214353 |
Formal Charge: | 0 |
Heavy Atom Count: | 19 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 263.15214353 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 49.8 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.8 |
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