2-(Benzyloxy)-1-propanol - CAS 70448-03-2

Catalog:	BB034156
Product Name:	2-(Benzyloxy)-1-propanol
CAS:	70448-03-2
Synonyms:	2-phenylmethoxy-1-propanol; 2-phenylmethoxypropan-1-ol

Technical Data

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Computed Properties

IUPAC Name:	2-phenylmethoxypropan-1-ol
Description:	2-(Benzyloxy)-1-propanol (CAS# 70448-03-2) is used to prepare amino diol HIV-protease inhibitors. It is also used to synthesize diphenyl-substituted amino alcohols as protease inhibitors.
Molecular Weight:	166.22
Molecular Formula:	C10H14O2
Canonical SMILES:	CC(CO)OCC1=CC=CC=C1
InChI:	InChI=1S/C10H14O2/c1-9(7-11)12-8-10-5-3-2-4-6-10/h2-6,9,11H,7-8H2,1H3
InChI Key:	BWCRDMRLKBPUTD-UHFFFAOYSA-N
LogP:	1.58400

Publication Number	Title	Priority Date
WO-2021190727-A1	Compounds and their use in the treatment of bacterial infection	20200324
DE-102020104348-A1	Paint stripping agents and methods for stripping objects	20200219
EP-3875550-A1	Paint stripping agent and method for stripping paint from objects	20200219
JP-2020105388-A	Toilet liquid cleaner composition and container-containing toilet cleaner product	20181227
WO-2020122182-A1	Amino acid having functional group capable of intermolecular hydrogen bonding, peptide compound containing same and method for production thereof	20181212

PMID	Publication Date	Title	Journal
11442414	20010713	Synthesis of (+)-juruenolide c: use of sequential 5-exo-digonal radical cyclization, 1,5-intramolecular hydrogen transfer, and 5-endo-trigonal cyclization	The Journal of organic chemistry

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Related Functional Groups

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GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	108
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	166.099379685
Formal Charge:	0
Heavy Atom Count:	12
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	166.099379685
Rotatable Bond Count:	4
Topological Polar Surface Area:	29.5 Å²
Undefined Atom Stereocenter Count:	1
Undefined Bond Stereocenter Count:	0
XLogP3:	1.3