1-Acetylpyrazole-4-boronic Acid Pinacol Ester - CAS 1150561-76-4
Catalog: |
BB003478 |
Product Name: |
1-Acetylpyrazole-4-boronic Acid Pinacol Ester |
CAS: |
1150561-76-4 |
Synonyms: |
1-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1-pyrazolyl]ethanone; 1-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazol-1-yl]ethanone |
IUPAC Name: | 1-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazol-1-yl]ethanone |
Description: | 1-Acetylpyrazole-4-boronic Acid Pinacol Ester (CAS# 1150561-76-4) is a useful research chemical. |
Molecular Weight: | 236.08 |
Molecular Formula: | C11H17N2O3B |
Canonical SMILES: | B1(OC(C(O1)(C)C)(C)C)C2=CN(N=C2)C(=O)C |
InChI: | InChI=1S/C11H17BN2O3/c1-8(15)14-7-9(6-13-14)12-16-10(2,3)11(4,5)17-12/h6-7H,1-5H3 |
InChI Key: | GAXOQGDPSCOOLC-UHFFFAOYSA-N |
Storage: | Sealed in dry, 2-8 °C |
MDL: | MFCD09027064 |
LogP: | 0.84240 |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]; H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]; H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation] |
Precautionary Statement: | P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
US-2020223827-A1 | 3,3-difluoroallylamines or salts thereof and pharmaceutical compositions comprising the same | 20181214 |
TW-202039447-A | 3,3-difluoroallylamines or salts thereof and pharmaceutical compositions comprising the same | 20181214 |
US-2013029984-A1 | Heterocyclic compounds and uses thereof | 20110719 |
US-2015246932-A1 | Heterocyclic compounds and uses thereof | 20110719 |
US-9056877-B2 | Heterocyclic compounds and uses thereof | 20110719 |
Complexity: | 317 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 236.1332226 |
Formal Charge: | 0 |
Heavy Atom Count: | 17 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 236.1332226 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 53.4 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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