3-(Benzyloxy)-2,2-dimethyl-1-propanol - CAS 66582-32-9

Catalog:	BB073558
Product Name:	3-(Benzyloxy)-2,2-dimethyl-1-propanol
CAS:	66582-32-9
Synonyms:	2,2-Dimethyl-3-(phenylmethoxy)-1-propanol

Technical Data

IUPAC Name:	2,2-dimethyl-3-phenylmethoxypropan-1-ol
Description:	3-(Benzyloxy)-2,2-dimethyl-1-propanol is an protected intermediate of NPG Glycol (N897000), is used in the synthesis of tetraphenylporphyrins.
Molecular Weight:	194.27
Molecular Formula:	C12H18O2
Canonical SMILES:	CC(C)(CO)COCC1=CC=CC=C1
InChI:	InChI=1S/C12H18O2/c1-12(2,9-13)10-14-8-11-6-4-3-5-7-11/h3-7,13H,8-10H2,1-2H3
InChI Key:	SGGGHAPHBMPBBV-UHFFFAOYSA-N
Solubility:	DCM, Ethyl Acetate, Methanol
Appearance:	Oil
Storage:	4°C, Inert atmosphere
References:	Lindsey, J. et al. J. Org. Chem., 52, 827 (1987); Evans, D. et al. J. Am. Chem. Soc., 121, 7540 (1999).

Complexity:	148
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	194.130679813
Formal Charge:	0
Heavy Atom Count:	14
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	194.130679813
Rotatable Bond Count:	5
Topological Polar Surface Area:	29.5Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.1