3-Methyl-3-(phenylmethoxy)butanamide - CAS 121490-17-3

Catalog:	BB060302
Product Name:	3-Methyl-3-(phenylmethoxy)butanamide
CAS:	121490-17-3
Synonyms:	3-(Benzyloxy)-3-methylbutanamide

Technical Data

IUPAC Name:	3-methyl-3-phenylmethoxybutanamide
Description:	3-Methyl-3-(phenylmethoxy)butanamide is an intermediate used in the synthesis of (S)-N-[1-(3-Hydroxy-3-methylbutanamido)-1-oxo-3-phenylpropan-2yl]pyrazine-2-carboxamide (H805105), which is an impurity of bortezomib (B675700), which is the first proteasome inhibitor to be approved by the US FDA for multiple myeloma, a blood cancer. A reversible inhibitor of the 26S proteasome-a barrel-shaped multiprotein particle found in the nucleus and cytosol of all eukaryotic cells. Targets the ubiquitin-proteasome pathway.
Molecular Weight:	207.27
Molecular Formula:	C12H17NO2
Canonical SMILES:	CC(C)(CC(=O)N)OCC1=CC=CC=C1
InChI:	InChI=1S/C12H17NO2/c1-12(2,8-11(13)14)15-9-10-6-4-3-5-7-10/h3-7H,8-9H2,1-2H3,(H2,13,14)
InChI Key:	LAAYAUUSUDSLIM-UHFFFAOYSA-N
Solubility:	Dichloromethane; Methanol
Appearance:	Pale Yellow Liquid
Storage:	-20°C Freezer

Complexity:	208
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	207.125928785
Formal Charge:	0
Heavy Atom Count:	15
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	207.125928785
Rotatable Bond Count:	5
Topological Polar Surface Area:	52.3Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1