2-Cyanophenylboronic Acid 1,3-Propanediol Ester - CAS 172732-52-4
Catalog: |
BB012847 |
Product Name: |
2-Cyanophenylboronic Acid 1,3-Propanediol Ester |
CAS: |
172732-52-4 |
Synonyms: |
2-(1,3,2-dioxaborinan-2-yl)benzonitrile; 2-(1,3,2-dioxaborinan-2-yl)benzonitrile |
IUPAC Name: | 2-(1,3,2-dioxaborinan-2-yl)benzonitrile |
Description: | 2-Cyanophenylboronic Acid 1,3-Propanediol Ester (CAS# 172732-52-4) is used in the synthesis of AMPA receptor antagonists in the treatment of neurological diseases causing dysfunction of glutamatergic neurotransmission. Also used in the small scale synthesis of Perampanel (P285520), an AMPA receptor antagonist. |
Molecular Weight: | 187.00 |
Molecular Formula: | C10H10NO2B |
Canonical SMILES: | B1(OCCCO1)C2=CC=CC=C2C#N |
InChI: | InChI=1S/C10H10BNO2/c12-8-9-4-1-2-5-10(9)11-13-6-3-7-14-11/h1-2,4-5H,3,6-7H2 |
InChI Key: | REQZFVYFYAZUMG-UHFFFAOYSA-N |
Boiling Point: | 372.4 °C at 760 mmHg |
Melting Point: | 46-56 °C (lit.) |
Purity: | 96 % |
Density: | 1.13 g/cm3 |
MDL: | MFCD04039012 |
LogP: | 0.69038 |
Publication Number | Title | Priority Date |
EP-3764434-A1 | Elimination of voltage-delays and stabilisation of impedance through electrolyte additives in alkaline metal chemical cells | 20190710 |
EP-3560934-A1 | Process for the preparation of pure 2-cyanophenylboronic acid and esters thereof, intermediates of perampanel or of e2040 | 20180426 |
US-2019327974-A1 | Synergists for improved pesticides | 20170109 |
WO-2018127928-A1 | Synergists for improved pesticides | 20170109 |
AU-2016351424-A1 | Pyranodipyridine compound | 20151113 |
Complexity: | 232 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 187.0804587 |
Formal Charge: | 0 |
Heavy Atom Count: | 14 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 187.0804587 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 42.2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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