N,N-bis(2-(p-toluenesulfonyloxy)ethyl)-p-toluenesulfonamide

HCID 267409
NotesReactions
Substructure searchFind similar structures

Basic information

CAS
16695-22-0
Standard SMILES
Cc1ccc(S(=O)(=O)OCCN(CCOS(=O)(=O)c2ccc(C)cc2)S(=O)(=O)c2ccc(C)cc2)cc1
InChIKey
VJDZYMIEDBLSDT-UHFFFAOYSA-N
Molecular formula
C25H29NO8S3
Average molar mass
567.7 g/mol
Monoisotopic mass
567.1055304

Names & identifiers

Preferred name
N,N-bis(2-(p-toluenesulfonyloxy)ethyl)-p-toluenesulfonamide
IUPAC
2-[(4-methylphenyl)sulfonyl-[2-(4-methylphenyl)sulfonyloxyethyl]amino]ethyl 4-methylbenzenesulfonate
English name
N,N-BIS[2-(P-TOLYLSULFONYLOXY)ETHYL]-P-TOLUENESULFONAMIDE
Molecular formula
C25H29NO8S3
Molecular weight
567.69

Names & synonyms

N,N-Bis[2-(p-tolylsulfonyloxy)ethyl]-p-toluenesulfonamideEC 412-920-3NSC 106624N,N-bis(2-(p-toluenesulfonyloxy)ethyl)-p-toluenesulfonamideN,N-Bis(2-(p-tolylsulfonyloxy)ethyl)-p-toluenesulfonamideRefChem:822125412-920-3627-486-216695-22-0(Tosylazanediyl)bis(ethane-2,1-diyl) bis(4-methylbenzenesulfonate)MFCD00026000N,N-Bis[2-(tosyloxy)ethyl]-p-toluenesulfonamide
Show more names
(Tosylazanediyl)Gadobutrol Impurity 43Gadobutrol Impurity 34Gadobutrol Impurity 116N,O,Oμ-Tritosyldiethanolaminebis(4-methylbenzenesulfonate)N,N-bis[2-(tosyloxy)ethyl]toluene-4-sulfonamideN,N-bis(2-tosyloxy)ethyl)toluene-4-*sulfonamideN,N-BIS(2-(TOSYLOXY)ETHYL)-P-TOLUENE- SULFONAMIDEN,N-bis(2-(P-tolylsulfonyloxy)ethyl)-P-toluenesul
N-tosyl-bis(2-tosyloxyethyl)amineN,O,O?-Tritosyldiethanolamine2-[(4-methylphenyl)sulfonyl-[2-(4-methylphenyl)sulfonyloxyethyl]amino]ethyl 4-methylbenzenesulfonateNSC-1066244-methyl-N,N-bis[2-[[(4-methylphenyl)sulfonyl]oxy]ethyl]benzenesulfonamideGadobutrol Impurity 9N,N-Bis[2-(p-tolylsulfonyloxy)ethyl]-p-toluenesulfonamide, 97%2-(N-{2-[(4-methylbenzenesulfonyl)oxy]ethyl}-4-methylbenzenesulfonamido)ethyl 4-methylbenzene-1-sulfonate

Database identifiers

CAS
16695-22-0
PubChem CID
267409
DTXSID
DTXSID20295976
UNII
75DU3QT8T6
EC Number
412-920-3、627-486-2
Nikkaji
J986.050I

Properties

Computed structural properties

XLogP
4.1
Topological polar surface area
149 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
9
Rotatable bonds
12
Heavy atoms
37

Physicochemical properties

Melting point
92 · 92-98 °C(lit.)
Boiling point
732.4 · 732.4±70.0 °C(Predicted)
Density
1.345 · 1.345±0.06 g/cm3(Predicted)
storage temp.
Sealed in dry,Room Temperature
solubility
soluble in Methanol
form
powder to crystal

Safety & regulation

GHS classification

GHS Classification · 6 items

Warning

H317: May cause an allergic skin reaction [Warning Sensitization, Skin]；H413: May cause long lasting harmful effects to aquatic life [Hazardous to the aquatic environment, long-term hazard]

P261, P272, P273, P280, P302+P352, P321, P333+P317, P362+P364, and P501 (click each P-code to see the statement)

Warning

Hazard information

Regulatory InformationStatus: Active Update: 10-11-2008 https://echa.europa.eu/registration-dossier/-/registered-dossier/3026
Hazard Classes and Categories · 4 items

Skin Sens. 1 (100%)；Aquatic Chronic 4 (100%)

Skin Sens. 1 (100%)；Aquatic Chronic 4 (100%)

Skin sensitisation - category 1；Hazardous to the aquatic environment (chronic) - category 4

Skin Sens. 1；Aquatic Chronic 4

Regulatory information

Regulatory InformationStatus: Active Update: 10-11-2008 https://echa.europa.eu/registration-dossier/-/registered-dossier/3026

Safety data

PPE
dust mask type N95 (US), Eyeshields, Faceshields, Gloves
wgk
1
hs_code
2935.90.9500
risk_code
43-53
Signal word
Warning
Symbol(GHS)
GHS07

Chemistry & industry

Applications · 2 items

UsesN,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)ethylenediamineselectively protected aza-macrocyclescarbon-bridged metallacarboranestetrakis(phosphonomethyl)-substituted cyclododecanes

UsesN,N-BIS[2-(P-TOLYLSULFONYLOXY)ETHYL]-P-TOLUENESULFONAMIDE used to prepare selectively protected aza-macrocycles,1 carbon-bridged metallacarboranes,2 and tetrakis(phosphonomethyl)-substituted cyclododecanes.3

Suppliers72 total

梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
济南百隆化学有限公司[email protected] · [email protected]
怀化元研达生物技术有限责任公司18711085600 · [email protected]
Sichuan Biosynce Pharmatech Co., Ltd.[email protected]

Related reactions

3 records
New reaction record

Compound notes

Loading…