1,3-Propanediol di-p-tosylate - CAS 5469-66-9

Catalog:	BB028780
Product Name:	1,3-Propanediol di-p-tosylate
CAS:	5469-66-9
Synonyms:	3-(4-methylphenyl)sulfonyloxypropyl 4-methylbenzenesulfonate

Technical Data

Patents

Literatures

Computed Properties

IUPAC Name:	3-(4-methylphenyl)sulfonyloxypropyl 4-methylbenzenesulfonate
Description:	1,3-Propanediol di-p-tosylate (CAS# 5469-66-9) is a useful research chemical.
Molecular Weight:	384.47
Molecular Formula:	C17H20O6S2
Canonical SMILES:	CC1=CC=C(C=C1)S(=O)(=O)OCCCOS(=O)(=O)C2=CC=C(C=C2)C
InChI:	InChI=1S/C17H20O6S2/c1-14-4-8-16(9-5-14)24(18,19)22-12-3-13-23-25(20,21)17-10-6-15(2)7-11-17/h4-11H,3,12-13H2,1-2H3
InChI Key:	ODVREDGIWSDQFD-UHFFFAOYSA-N
Boiling Point:	563.1 °C at 760 mmHg
Density:	1.3 g/cm³
Appearance:	White powder or crystalline powder
MDL:	MFCD00013392
LogP:	4.96590

Publication Number	Title	Priority Date
KR-20210086505-A	Metal-ligand complexes having electron withdrawing group, catalyst composition for ethylene-based polymerization containing the same, and production methods of ethylene-based polymers using the same	20191230
CN-113004305-A	Macrocyclic compounds, their preparation and use	20191219
WO-2021113492-A1	Cyclic compounds and methods of using same	20191206
KR-20200125472-A	Immuno-conjugates and uses thereof	20190425
CN-109873204-B	Ternary lithium ion battery electrolyte and lithium ion battery containing same	20190227

PMID	Publication Date	Title	Journal
22412755	20120301	1,3-Bis{[(4-methyl-phen-yl)sulfon-yl]-oxy}propan-2-yl 4-methyl-benzene-sulfonate	Acta crystallographica. Section E, Structure reports online
12798378	20030601	Fully automated synthesis of O-(3-[18F]fluoropropyl)-L-tyrosine by direct nucleophilic exchange on a quaternary 4-aminopyridinium resin	Applied radiation and isotopes : including data, instrumentation and methods for use in agriculture, industry and medicine

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Related Functional Groups

Sulfur Compounds

[1005626-64-1]
3-(1,3-Dimethylpyrazol-4-yl)-5-[(1-methylpyrazol-4-yl)methylidene]-2-sulfanylideneimidazolidin-4-one
[2039-96-5]
3-(Trimethylsilyl)-1-propanesulfonic acid sodium salt
[1778-09-2]
4'-(Methylthio)acetophenone
[2170450-99-2]
4-Methyl-1-(phenylsulfonyl)-1H-indole-2-carbonitrile
[52147-97-4]
trans-β-Styrenesulfonyl chloride
[1353995-46-6]
(R)-1-((2,4-Dichlorophenyl)sulfonyl)pyrrolidin-3-ol

Complexity:	532
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	384.0701307
Formal Charge:	0
Heavy Atom Count:	25
Hydrogen Bond Acceptor Count:	6
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	384.0701307
Rotatable Bond Count:	8
Topological Polar Surface Area:	104
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	3.3