3-Methoxy-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine

HCID 53398059CAS 947249-19-6

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Basic information

Standard SMILES: COc1cc(B2OC(C)(C)C(C)(C)O2)cnc1N
InChIKey: OXNSEGHJPTXNPF-UHFFFAOYSA-N
Molecular formula: C12H19BN2O3
Average molar mass: 250.1 g/mol
Monoisotopic mass: 250.14887287

Names & identifiers

Preferred name: 3-Methoxy-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine
IUPAC: 3-methoxy-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine
English name: 2-Pyridinamine, 3-methoxy-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-
Molecular formula: C12H19BN2O3
Molecular weight: 250.1

Names & synonyms

947249-19-63-methoxy-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amineDTXSID40694407RefChem:280425DTXCID406451566-Amino-5-methoxypyridine-3-boronic acid pinacol esterMFCD119772482-Pyridinamine, 3-methoxy-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-SCHEMBL67014OXNSEGHJPTXNPF-UHFFFAOYSA-NXMB24919AKOS015950123

Show more names

6-AMino-5-Methoxypyridine-3-boronic acid pinacol ester, 96%3-methoxy-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)- 2-Pyridinamine3-methoxy-5-(4,4,5,5-tetramethyl-1,3,2-dioxoborolan-2-yl)pyridine-2-amine3-Methoxy-5-(4,4,5,5-tetramethyl-[1,3,2]dioxaborolan-2-yl)-pyridin-2-ylamine

PS-12957SY256232CS-0175562G63900F691678(6-Amino-5-methoxypyridin-3-yl)boronic Acid Pinacol Ester6-Amino-5-methoxypyridine-3-boronic acid pinacol ester, >97%2-amino-3-methoxy-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine

Database identifiers

CAS: 947249-19-6
PubChem CID: 53398059
DTXSID: DTXSID40694407
EC Number: 980-774-2

Properties

Computed structural properties

Topological polar surface area: 66.6 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 5
Rotatable bonds: 2
Heavy atoms: 18
Formal charge: 0
Complexity: 296

Physicochemical properties

Melting point: 98 · 98-103℃
storage temp.: 0 · Store at 0-8 °C
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 315 · H315-H319-H335
Precautionary statements: 261 · P261-P280a-P304+P340-P305+P351+P338-P405-P501a

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

Hazard information

Hazard Classes and CategoriesAcute Tox. 4 (100%)

Safety data

Signal word: Warning
Symbol(GHS): GHS07
Hazard statements: H315-H319-H335
Precautionary statements: P261-P280a-P304+P340-P305+P351+P338-P405-P501a

Chemistry & industry

Applications

Uses6-Amino-5-Methoxypyridine-3-Boronic Acid Pinacol Ester is used in the preparation and studies of dual leucine zipper kinase inhibitors used in the treatment of Alzheimer''s diseases.