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tert-Butyl 1-(Tosyloxy)-3,6,9,12-tetraoxapentadecan-15-oate - 98%, high purity , CAS No.581065-94-3

COA

Grade & Purity:

≥98%

Cas Number: 581065-94-3
Molecular Weight: 476.58
MDL number: MFCD22574810
PubChem CID: 60146227
PubChem SID: 488202039

In stock

Item Number

T405326

Grouped product items
SKU	Size	Availability	Price
T405326-100mg	100mg	3	$19.90
T405326-250mg	250mg	5	$41.90
T405326-1g	1g	4	$137.90
T405326-5g	5g	2	$569.90

View related series

Active ester (76) Amino PEG (422) Chemical Biology (1255) PEG Tosylate (194) PEGylation reagent (70) PROTAC (2077) PROTAC Linkers (1898)

Basic Description

Synonyms	B5902 \| tert-butyl 1-(tosyloxy)-3,6,9,12-tetraoxapentadecan-15-oate \| Tos-PEG5 t-butyl ester \| 3,6,9,12-Tetraoxapentadecan-15-oic acid,1-[[(4-methylphenyl)sulfonyl]oxy]-, 1,1-dimethylethyl ester \| Tos-PEG4-CH2CH2COOtBu \| 3-[2-(2-{2-[2-(Toluene-4-sulfonylo
Specifications & Purity	≥98%
Storage Temp	Argon charged

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Benzenoids
  - Class Benzene and substituted derivatives
    - Subclass Benzenesulfonic acids and derivatives

Kingdom	Organic compounds
Superclass	Benzenoids
Class	Benzene and substituted derivatives
Subclass	Benzenesulfonic acids and derivatives
Intermediate Tree Nodes	Not available
Direct Parent	Benzenesulfonate esters
Alternative Parents	p-Methylbenzenesulfonates Tosyl compounds Benzenesulfonyl compounds Arylsulfonic acids and derivatives Organosulfonic acid esters Sulfonyls Carboxylic acid esters Monocarboxylic acids and derivatives Dialkyl ethers Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework	Aromatic homomonocyclic compounds
Substituents	Benzenesulfonate ester - P-methylbenzenesulfonate - Tosyl compound - Benzenesulfonyl group - Arylsulfonic acid or derivatives - Toluene - Organosulfonic acid ester - Sulfonyl - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Carboxylic acid ester - Monocarboxylic acid or derivatives - Ether - Dialkyl ether - Carboxylic acid derivative - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organosulfur compound - Organooxygen compound - Carbonyl group - Aromatic homomonocyclic compound
Description	This compound belongs to the class of organic compounds known as benzenesulfonate esters. These are arenesulfonate esters that result from the formal condensation of the hydroxy group of an alcohol, enol, phenol or heteroarenol with benzenesulfonic acid.
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	488202039
Pubchem Sid Url	https://pubchem.ncbi.nlm.nih.gov/substance/488202039
IUPAC Name	tert-butyl 3-[2-[2-[2-[2-(4-methylphenyl)sulfonyloxyethoxy]ethoxy]ethoxy]ethoxy]propanoate
INCHI	InChI=1S/C22H36O9S/c1-19-5-7-20(8-6-19)32(24,25)30-18-17-29-16-15-28-14-13-27-12-11-26-10-9-21(23)31-22(2,3)4/h5-8H,9-18H2,1-4H3
InChIKey	GGGJGMGLGUHUMW-UHFFFAOYSA-N
Smiles	CC1=CC=C(C=C1)S(=O)(=O)OCCOCCOCCOCCOCCC(=O)OC(C)(C)C
Isomeric SMILES	CC1=CC=C(C=C1)S(=O)(=O)OCCOCCOCCOCCOCCC(=O)OC(C)(C)C
PubChem CID	60146227
Molecular Weight	476.58
Reaxy-Rn	9808413

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

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

Analytical Chart:

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8 results found

Lot Number	Certificate Type	Date	Item
E2318918	Certificate of Analysis	Apr 01, 2023	T405326
E2318906	Certificate of Analysis	Apr 01, 2023	T405326
E2318905	Certificate of Analysis	Apr 01, 2023	T405326
E2318926	Certificate of Analysis	Apr 01, 2023	T405326
E2318898	Certificate of Analysis	Apr 01, 2023	T405326
E2318939	Certificate of Analysis	Apr 01, 2023	T405326
E2318927	Certificate of Analysis	Apr 01, 2023	T405326
E2318909	Certificate of Analysis	Apr 01, 2023	T405326

Chemical and Physical Properties

Sensitivity	Light Sensitive,Air Sensitive
Refractive Index	1.49
Flash Point(°C)	293 °C
Molecular Weight	476.600 g/mol
XLogP3	1.800
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	9
Rotatable Bond Count	19
Exact Mass	476.208 Da
Monoisotopic Mass	476.208 Da
Topological Polar Surface Area	115.000 Å²
Heavy Atom Count	32
Formal Charge	0
Complexity	588.000
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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