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N,N-Bis[2-(p-tolylsulfonyloxy)ethyl]-p-toluenesulfonamide - >97.0%, high purity , CAS No.16695-22-0

COA

Grade & Purity:

≥97%

Cas Number: 16695-22-0
Molecular Weight: 567.69
Beilstein Registry Number: 2406580
MDL number: MFCD00026000
PubChem CID: 267409
PubChem SID: 488189167

In stock

Item Number

N159481

Grouped product items
SKU	Size	Availability	Price
N159481-5g	5g	9	$42.90
N159481-25g	25g	4	$152.90
N159481-100g	100g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$547.90

View related series

Non heterocyclic block (8163) Sulfur containing compounds (986)

Basic Description

Synonyms	N,O,O?-Tritosyldiethanolamine \| MFCD00026000 \| 4-methyl-N,N-bis[2-[[(4-methylphenyl)sulfonyl]oxy]ethyl]benzenesulfonamide \| A882291 \| N,N-Bis[2-(p-tolylsulfonyloxy)ethyl]-p-toluenesulfonamide, 97% \| N-tosyl-bis(2-tosyloxyethyl)amine \| N,N-Bis[2-(tosyloxy)
Specifications & Purity	≥97%
Shipped In	Normal
Product Description	N,N-Bis[2-(p-tolylsulfonyloxy)ethyl]-p-toluenesulfonamide may be used in the preparation of : ? 2-(p-benzamidobenzyl)-1,4,7-tris(p-tolylsulfonyl)-1,4,7-triazacyclononane, via reaction with N,N′-bis(p-tolylsulfonyl)-1-(p-benzamidobenzyl)ethylenediamine ? selectively protected aza-macrocycles ? carbon-bridged metallacarboranes ? tetrakis(phosphonomethyl)-substituted cyclododecanes

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Benzenoids
  - Class Benzene and substituted derivatives
    - Subclass Toluenes
      - Level5 Tosyl compounds
        Level6 P-toluenesulfonamides
        Level7 N,N-disubstituted p-toluenesulfonamides

Kingdom	Organic compounds
Superclass	Benzenoids
Class	Benzene and substituted derivatives
Subclass	Toluenes
Intermediate Tree Nodes	Tosyl compounds - P-toluenesulfonamides
Direct Parent	N,N-disubstituted p-toluenesulfonamides
Alternative Parents	p-Methylbenzenesulfonates Benzenesulfonate esters Benzenesulfonamides Benzenesulfonyl compounds Arylsulfonic acids and derivatives Organosulfonic acid esters Organosulfonamides Aminosulfonyl compounds Organopnictogen compounds Organooxygen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework	Aromatic homomonocyclic compounds
Substituents	N,n-disubstituted p-toluenesulfonamide - P-methylbenzenesulfonate - Benzenesulfonate ester - Benzenesulfonamide - Benzenesulfonate - Benzenesulfonyl group - Arylsulfonic acid or derivatives - Organosulfonic acid amide - Organosulfonic acid ester - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Sulfonyl - Aminosulfonyl compound - Organic oxygen compound - Organic oxide - Organopnictogen compound - Organosulfur compound - Organooxygen compound - Hydrocarbon derivative - Organic nitrogen compound - Organonitrogen compound - Aromatic homomonocyclic compound
Description	This compound belongs to the class of organic compounds known as n,n-disubstituted p-toluenesulfonamides. These are p-toluenesulfonamide derivatives in which the sulfonamide moiety is N,N-disubstituted.
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

Pubchem Sid	488189167
Pubchem Sid Url	https://pubchem.ncbi.nlm.nih.gov/substance/488189167
IUPAC Name	2-[(4-methylphenyl)sulfonyl-[2-(4-methylphenyl)sulfonyloxyethyl]amino]ethyl 4-methylbenzenesulfonate
INCHI	InChI=1S/C25H29NO8S3/c1-20-4-10-23(11-5-20)35(27,28)26(16-18-33-36(29,30)24-12-6-21(2)7-13-24)17-19-34-37(31,32)25-14-8-22(3)9-15-25/h4-15H,16-19H2,1-3H3
InChIKey	VJDZYMIEDBLSDT-UHFFFAOYSA-N
Smiles	CC1=CC=C(C=C1)S(=O)(=O)N(CCOS(=O)(=O)C2=CC=C(C=C2)C)CCOS(=O)(=O)C3=CC=C(C=C3)C
Isomeric SMILES	CC1=CC=C(C=C1)S(=O)(=O)N(CCOS(=O)(=O)C2=CC=C(C=C2)C)CCOS(=O)(=O)C3=CC=C(C=C3)C
WGK Germany	1
Molecular Weight	567.69
Beilstein	2406580
Reaxy-Rn	2406580
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2406580&ln=

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

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

Analytical Chart:

Find and download the COA for your product by matching the lot number on the packaging.

4 results found

Lot Number	Certificate Type	Date	Item
I1803143	Certificate of Analysis	Jul 09, 2022	N159481
D2323773	Certificate of Analysis	Jul 09, 2022	N159481
I1803142	Certificate of Analysis	Jul 09, 2022	N159481
D2323794	Certificate of Analysis	Jul 09, 2022	N159481

Chemical and Physical Properties

Solubility	Soluble in Methanol
Melt Point(°C)	92-98°C
Molecular Weight	567.700 g/mol
XLogP3	4.100
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	9
Rotatable Bond Count	12
Exact Mass	567.106 Da
Monoisotopic Mass	567.106 Da
Topological Polar Surface Area	149.000 Å²
Heavy Atom Count	37
Formal Charge	0
Complexity	945.000
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
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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