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2,2-Dimethyl-1,3-dioxolan-4-ylmethyl p-toluenesulfonate

2,2-Dimethyl-1,3-dioxolan-4-ylmethyl p-toluenesulfonate - CAS 7305-59-1

Catalog:	BB034748
Product Name:	2,2-Dimethyl-1,3-dioxolan-4-ylmethyl p-toluenesulfonate
CAS:	7305-59-1
Synonyms:	(2,2-dimethyl-1,3-dioxolan-4-yl)methyl 4-methylbenzenesulfonate

Technical Data

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Computed Properties

IUPAC Name:	(2,2-dimethyl-1,3-dioxolan-4-yl)methyl 4-methylbenzenesulfonate
Description:	Protected D,L-Glycerol.
Molecular Weight:	286.34
Molecular Formula:	C13H18O5S
Canonical SMILES:	CC1=CC=C(C=C1)S(=O)(=O)OCC2COC(O2)(C)C
InChI:	InChI=1S/C13H18O5S/c1-10-4-6-12(7-5-10)19(14,15)17-9-11-8-16-13(2,3)18-11/h4-7,11H,8-9H2,1-3H3
InChI Key:	SRKDUHUULIWXFT-UHFFFAOYSA-N
Appearance:	White solid
MDL:	MFCD00063232
LogP:	2.93260

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PMID	Publication Date	Title	Journal
20158143	20091101	Anti-hepatitis B virus activity of new substituted pyrimidine acyclic nucleoside analogues	Zeitschrift fur Naturforschung. C, Journal of biosciences
17578741	20070101	Novel regioselective hydroxyl-alkylation of 4,5-diphenylimidazole-2-thione and a competitive intramolecular ring closure of the S-hydroxyalkyl-imidazoles to imidazo[2,1-b]thiazines and thiazoles. Role of catalyst, microwave irradiation, and solid support	Nucleosides, nucleotides & nucleic acids
17578742	20070101	Novel regioselective formation of S- and N-hydroxyl-alkyls of 5-(3-chlorobenzo[b]thien-2-yl)-3-mercapto-4H-1,2,4-triazole and a facile synthesis of triazolo-thiazoles and thiazolo-triazoles. Role of catalyst and microwave	Nucleosides, nucleotides & nucleic acids
14572714	20031031	A novel synthesis of acyclonucleosides via allylation of 3-[1-(phenylhydrazono)-L-threo-2,3,4-trihydroxybut-1-yl]quinoxalin-2(1H)one	Carbohydrate research

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GHS Hazard Statement:	H315 (100%): 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

Complexity:	390
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	286.08749484
Formal Charge:	0
Heavy Atom Count:	19
Hydrogen Bond Acceptor Count:	5
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	286.08749484
Rotatable Bond Count:	4
Topological Polar Surface Area:	70.2 Å²
Undefined Atom Stereocenter Count:	1
Undefined Bond Stereocenter Count:	0
XLogP3:	1.8