1-Boc-2,5-dihydropyrrole-3-boronic Acid Pinacol Ester - CAS 212127-83-8
Catalog: |
BB016693 |
Product Name: |
1-Boc-2,5-dihydropyrrole-3-boronic Acid Pinacol Ester |
CAS: |
212127-83-8 |
Synonyms: |
3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2,5-dihydropyrrole-1-carboxylic acid tert-butyl ester; tert-butyl 3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2,5-dihydropyrrole-1-carboxylate |
IUPAC Name: | tert-butyl 3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2,5-dihydropyrrole-1-carboxylate |
Description: | 2,5-Dihydro-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrrole-1-carboxylic Acid 1,1-Dimethylethyl Ester, in the synthesis of series of kinase inhibitors. |
Molecular Weight: | 295.18 |
Molecular Formula: | C15H26NO4B |
Canonical SMILES: | B1(OC(C(O1)(C)C)(C)C)C2=CCN(C2)C(=O)OC(C)(C)C |
InChI: | InChI=1S/C15H26BNO4/c1-13(2,3)19-12(18)17-9-8-11(10-17)16-20-14(4,5)15(6,7)21-16/h8H,9-10H2,1-7H3 |
InChI Key: | OIZXJJIHVIYNKZ-UHFFFAOYSA-N |
LogP: | 2.73280 |
GHS Hazard Statement: | H302 (50%): 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-113493490-A | Synthetic peptide amide compound and application thereof in medical field | 20200403 |
WO-2021197283-A1 | Synthetic peptide amide compound and its use in the field of medicine | 20200403 |
WO-2021183439-A1 | Substituted furo[3,2-d]pyrimidines and uses thereof | 20200309 |
WO-2021170109-A1 | Tropomyosin receptor kinase (trk) degradation compounds and methods of use | 20200226 |
US-2021253565-A1 | Monoacylglycerol lipase modulators | 20200210 |
Complexity: | 449 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 295.1954885 |
Formal Charge: | 0 |
Heavy Atom Count: | 21 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 295.1954885 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 48 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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