meso-Hydrobenzoin - CAS 579-43-1

Catalog:	BB029868
Product Name:	meso-Hydrobenzoin
CAS:	579-43-1
Synonyms:	(1R,2S)-1,2-diphenylethane-1,2-diol

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Computed Properties

IUPAC Name:	(1R,2S)-1,2-diphenylethane-1,2-diol
Description:	meso-Hydrobenzoin (CAS# 579-43-1) is used as a catalyst in synthesis of dialkyl sulfoxides.
Molecular Weight:	214.26
Molecular Formula:	C14H14O2
Canonical SMILES:	C1=CC=C(C=C1)C(C(C2=CC=CC=C2)O)O
InChI:	InChI=1S/C14H14O2/c15-13(11-7-3-1-4-8-11)14(16)12-9-5-2-6-10-12/h1-10,13-16H/t13-,14+
InChI Key:	IHPDTPWNFBQHEB-OKILXGFUSA-N
Boiling Point:	373 °C at 760 mmHg
Melting Point:	134-137 °C
Purity:	97 %
Density:	1.193 g/cm³
Appearance:	White crystalline powder
Storage:	2-8 °C
MDL:	MFCD00064253
LogP:	2.45360
Vapor Pressure:	0.00000021 [mmHg]

Publication Number	Title	Priority Date
US-2021179570-A1	Processes and intermediates for preparing mcl1 inhibitors	20191126
WO-2021108254-A1	Processes and intermediates for preparing mcl1 inhibitors	20191126
WO-2021085645-A1	Method for determining structure of substance in multicomponent sample	20191101
US-2020039856-A1	Treatment of quarry liquid effluent	20170331
EP-3305405-A1	Mangan(iii)-mangan(iv) mixed oxide catalyst containing an intercalated cation x for aerobic oxidative cleavage of 1,2-diols	20161010

PMID	Publication Date	Title	Journal
19333414	20090201	Investigation on the protective effect of α-mannan against the DNA damage induced by aflatoxin B₁in mouse hepatocytes	International journal of molecular sciences
14961701	20040220	Desymmetrization of meso-hydrobenzoin using chiral, nucleophilic phosphine catalysts	The Journal of organic chemistry
12590525	20030226	Copper ion-induced activation and asymmetric benzoylation of 1,2-diols: kinetic chiral molecular recognition	Journal of the American Chemical Society

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Complexity:	171
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	2
Defined Bond Stereocenter Count:	0
Exact Mass:	214.099379685
Formal Charge:	0
Heavy Atom Count:	16
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	2
Isotope Atom Count:	0
Monoisotopic Mass:	214.099379685
Rotatable Bond Count:	3
Topological Polar Surface Area:	40.5
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.6