1,1'-[(2-Ethyl-1,3-propanediyl)bis(oxymethylene)]bisbenzene - CAS 33498-90-7

Catalog:	BB066098
Product Name:	1,1'-[(2-Ethyl-1,3-propanediyl)bis(oxymethylene)]bisbenzene
CAS:	33498-90-7
Synonyms:	2-(phenylmethoxymethyl)butoxymethylbenzene; 1,1'-[(2-Ethyl-1,3-propanediyl)bis(oxymethylene)]bisbenzene; (((2-Ethylpropane-1,3-diyl)bis(oxy))bis(methylene))dibenzene; 1,3-Dibenzyloxy-2-ethylpropane; Butane, 1-(benzyloxy)-2-[(benzyloxy)methyl]-; 1-(Benzyloxy)-2-[(benzyloxy)methyl]butane; ((2-[(Benzyloxy)methyl]butoxy)methyl)benzene #

Technical Data

IUPAC Name:	2-(phenylmethoxymethyl)butoxymethylbenzene
Description:	1,1'-[(2-Ethyl-1,3-propanediyl)bis(oxymethylene)]bisbenzene is an intermediate in the synthesis of 2-(Hydroxymethyl)butanoic Acid (H946455), a substrate used to study the activity of 2-methyl-3hydroxybutyryl-CoA dehydrogenase deficiency in patients and carriers.
Molecular Weight:	284.39
Molecular Formula:	C19H24O2
Canonical SMILES:	CCC(COCC1=CC=CC=C1)COCC2=CC=CC=C2
InChI:	InChI=1S/C19H24O2/c1-2-17(13-20-15-18-9-5-3-6-10-18)14-21-16-19-11-7-4-8-12-19/h3-12,17H,2,13-16H2,1H3
InChI Key:	SOMSLSTWYULWJW-UHFFFAOYSA-N
Solubility:	DCM
Appearance:	Yellow Oil
References:	Grose, W.F.A., et al. Org. Mass. Spectro., 5, 833 (1971); Tormo, J., et al. J. Org. Chem., 63, 5296 (1998).

Complexity:	218
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	284.177630004
Formal Charge:	0
Heavy Atom Count:	21
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	284.177630004
Rotatable Bond Count:	9
Topological Polar Surface Area:	18.5Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	4.1