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2-Phenyl-2-(p-toluenesulfonyloxy)acetophenone - >97.0%(HPLC), high purity , CAS No.1678-43-9

COA

Grade & Purity:

≥97%(HPLC)

Cas Number: 1678-43-9
Molecular Weight: 366.43
PubChem CID: 11728255

In stock

Item Number

P160254

Grouped product items
SKU	Size	Availability	Price	Qty
P160254-250mg	250mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$110.90
P160254-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$231.90

Basic Description

Synonyms	1678-43-9 \| 2-Phenyl-2-(p-toluenesulfonyloxy)acetophenone \| 2-Oxo-1,2-diphenylethyl 4-methylbenzenesulfonate \| 2-Phenyl-2-tosyloxyacetophenone \| (2-oxo-1,2-diphenylethyl) 4-methylbenzenesulfonate \| MFCD04038426 \| benzoin tosylate \| 2-[(4-methylbenzenesulfonyl)oxy]-1,2-
Specifications & Purity	≥97%(HPLC)
Shipped In	Normal

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Phenylpropanoids and polyketides
  - Class Stilbenes
    - Subclass Benzoins

Kingdom	Organic compounds
Superclass	Phenylpropanoids and polyketides
Class	Stilbenes
Subclass	Benzoins
Intermediate Tree Nodes	Not available
Direct Parent	Benzoins
Alternative Parents	Alkyl-phenylketones p-Methylbenzenesulfonates Benzenesulfonate esters Tosyl compounds Benzenesulfonyl compounds Arylsulfonic acids and derivatives Benzoyl derivatives Aryl alkyl ketones Organosulfonic acid esters Sulfonyls Organic oxides Hydrocarbon derivatives
Molecular Framework	Aromatic homomonocyclic compounds
Substituents	Benzoin - Alkyl-phenylketone - Benzenesulfonate ester - P-methylbenzenesulfonate - Tosyl compound - Benzenesulfonate - Arylsulfonic acid or derivatives - Phenylketone - Benzenesulfonyl group - Benzoyl - Aryl alkyl ketone - Aryl ketone - Toluene - Monocyclic benzene moiety - Organosulfonic acid ester - Benzenoid - Organosulfonic acid or derivatives - Sulfonyl - Organic sulfonic acid or derivatives - Ketone - Organic oxygen compound - Organooxygen compound - Organosulfur compound - Hydrocarbon derivative - Organic oxide - Aromatic homomonocyclic compound
Description	This compound belongs to the class of organic compounds known as benzoins. These are organic compounds containing a 1,2-hydroxy ketone attached to two phenyl groups.
External Descriptors	Not available
1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61. DOI: 10.1186/s13321-016-0174-y

Names and Identifiers

IUPAC Name	(2-oxo-1,2-diphenylethyl) 4-methylbenzenesulfonate
INCHI	InChI=1S/C21H18O4S/c1-16-12-14-19(15-13-16)26(23,24)25-21(18-10-6-3-7-11-18)20(22)17-8-4-2-5-9-17/h2-15,21H,1H3
InChIKey	DLDWUFCUUXXYTB-UHFFFAOYSA-N
Smiles	CC1=CC=C(C=C1)S(=O)(=O)OC(C2=CC=CC=C2)C(=O)C3=CC=CC=C3
Isomeric SMILES	CC1=CC=C(C=C1)S(=O)(=O)OC(C2=CC=CC=C2)C(=O)C3=CC=CC=C3
PubChem CID	11728255
Molecular Weight	366.43
Reaxy-Rn	2225338

Certificates（CoA,COO,BSE/TSE and Analysis Chart)

C of A & Other Certificates(BSE/TSE, COO):

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	366.400 g/mol
XLogP3	4.700
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	6
Exact Mass	366.093 Da
Monoisotopic Mass	366.093 Da
Topological Polar Surface Area	68.800 Å²
Heavy Atom Count	26
Formal Charge	0
Complexity	545.000
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
The total count of all stereochemical bonds	0
Covalently-Bonded Unit Count	1

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