N-Cbz-1,2,3,6-tetrahydropyridine-4-boronic Acid Pinacol Ester - CAS 286961-15-7
Catalog: |
BB019918 |
Product Name: |
N-Cbz-1,2,3,6-tetrahydropyridine-4-boronic Acid Pinacol Ester |
CAS: |
286961-15-7 |
Synonyms: |
4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,6-dihydro-2H-pyridine-1-carboxylic acid (phenylmethyl) ester; benzyl 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,6-dihydro-2H-pyridine-1-carboxylate |
IUPAC Name: | benzyl 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,6-dihydro-2H-pyridine-1-carboxylate |
Description: | N-Cbz-1,2,3,6-tetrahydropyridine-4-boronic Acid Pinacol Ester (CAS# 286961-15-7) is a reactant used in the synthesis of potent and orally bioavailable inhibitors of βII tryptase used in the treatment of allergic diseases. |
Molecular Weight: | 343.23 |
Molecular Formula: | C19H26NO4B |
Canonical SMILES: | B1(OC(C(O1)(C)C)(C)C)C2=CCN(CC2)C(=O)OCC3=CC=CC=C3 |
InChI: | InChI=1S/C19H26BNO4/c1-18(2)19(3,4)25-20(24-18)16-10-12-21(13-11-16)17(22)23-14-15-8-6-5-7-9-15/h5-10H,11-14H2,1-4H3 |
InChI Key: | QDSFHRPYZPQWEJ-UHFFFAOYSA-N |
Boiling Point: | 418.2 °C at 760 mmHg |
Density: | 1.13 g/cm3 |
MDL: | MFCD11521562 |
LogP: | 3.52460 |
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 |
CN-111217693-A | method for preparing a, β -unsaturated carboxylic acid by reacting alkenyl boron compound catalyzed by cuprous halide with carbon dioxide | 20200219 |
CN-112851668-A | ATR inhibitor and application thereof in medicine | 20191127 |
US-2021139517-A1 | Bicyclic heteroaryl compounds and uses thereof | 20191108 |
WO-2021092115-A1 | Bicyclic heteroaryl compounds and uses thereof | 20191108 |
US-2021130326-A1 | Ras inhibitors | 20191104 |
Complexity: | 510 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 343.1954885 |
Formal Charge: | 0 |
Heavy Atom Count: | 25 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 343.1954885 |
Rotatable Bond Count: | 4 |
Topological Polar Surface Area: | 48 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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