1-Adamantyl bromomethyl ketone - CAS 5122-82-7

Name: 1-Adamantyl bromomethyl ketone
Brand: BOC Sciences
Rating: 5 (1 reviews)

Catalog:	BB027375
Product Name:	1-Adamantyl bromomethyl ketone
CAS:	5122-82-7
Synonyms:	1-(1-adamantyl)-2-bromoethanone

Technical Data

IUPAC Name:	1-(1-adamantyl)-2-bromoethanone
Description:	1-Adamantyl bromomethyl ketone (CAS# 5122-82-7) is an intermediate used in the preparation of (adamantylthiazolyl)pyrazolines and derivatives targeting EGFR in triple negative breast cancer.
Molecular Weight:	257.17
Molecular Formula:	C12H17BrO
Canonical SMILES:	C1C2CC3CC1CC(C2)(C3)C(=O)CBr
InChI:	InChI=1S/C12H17BrO/c13-7-11(14)12-4-8-1-9(5-12)3-10(2-8)6-12/h8-10H,1-7H2
InChI Key:	KWCDIRFSULAMOC-UHFFFAOYSA-N
Boiling Point:	320.3 °C at 760 mmHg
Density:	1.439 g/cm³
Appearance:	White crystalline powder
MDL:	MFCD00074740
LogP:	3.16680

GHS Hazard Statement:	H315 (97.5%): Causes skin irritation [Warning Skin corrosion/irritation]
Precautionary Statement:	P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Warning

Publication Number	Title	Priority Date
WO-2020044771-A1	Actinic-ray-sensitive or radiation-sensitive resin composition, resist film, pattern formation method, and electronic device manufacture method	20180829
US-2021088905-A1	Actinic ray-sensitive or radiation-sensitive resin composition, resist film, pattern forming method, and method for manufacturing electronic device	20180829
EP-3556755-A1	Substituted aminothiazoles as inhibitors of nucleases	20180417
IL-277866-D0	Aminothiazoles have been replaced as nucleating inhibitors	20180417
CN-112313229-A	Substituted aminothiazoles as inhibitors of nucleases	20180417

PMID	Publication Date	Title	Journal
21714097	20110905	Adamantyl ethanone pyridyl derivatives: potent and selective inhibitors of human 11β-hydroxysteroid dehydrogenase type\u20051	ChemMedChem
21608132	20110801	Discovery of adamantyl heterocyclic ketones as potent 11β-hydroxysteroid dehydrogenase type\u20051 inhibitors	ChemMedChem

Complexity:	230
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	256.04628
Formal Charge:	0
Heavy Atom Count:	14
Hydrogen Bond Acceptor Count:	1
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	256.04628
Rotatable Bond Count:	2
Topological Polar Surface Area:	17.1 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	3.3