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N-(tert-Butoxycarbonyl)-p-toluenesulfonamide - >98.0%, high purity , CAS No.18303-04-3

COA

Grade & Purity:

≥98%

Cas Number: 18303-04-3
Molecular Weight: 271.33
MDL number: MFCD00134267
PubChem CID: 688170
PubChem SID: 488191090

In stock

Item Number

N159720

Grouped product items
SKU	Size	Availability	Price
N159720-5g	5g	3	$41.90
N159720-10g	10g	3	$64.90
N159720-25g	25g	1	$121.90
N159720-100g	100g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$437.90

View related series

Nitrogenous compounds (2445) Non heterocyclic block (8163)

Basic Description

Synonyms	FS-3882 \| N-Boc-4-toluenesulfonamide \| SCHEMBL497667 \| DUTLOVSBVBGNDM-UHFFFAOYSA-N \| MFCD00134267 \| CS-0037692 \| N-Boc-4-tolylsulfonamide \| J-011716 \| N-(p-tolylsulfonyl)-carbamic acid tert-butyl ester \| tert-Butyl N-(p-tosyl)carbamate \| (tert-butoxy)-N-[
Specifications & Purity	≥98%
Shipped In	Normal
Product Description	N-(tert-Butoxycarbonyl)-p-toluenesulfonamide is a N-substituted sulphonamide and its reaction with N-trityl L-serine esters under Mitsunobu reaction conditions is reported. It can be directly coupled with primary, secondary and allylic alcohols under Mitsunobu conditions to afford various sulfonyl-protected amines. N-(tert-Butoxycarbonyl)-p-toluenesulfonamide may be used in the preparation of enyne amide, precursor for Pauson-Khand reaction.

Taxonomic Classification

Taxonomy Tree

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

Kingdom	Organic compounds
Superclass	Benzenoids
Class	Benzene and substituted derivatives
Subclass	Benzenesulfonamides
Intermediate Tree Nodes	Not available
Direct Parent	Benzenesulfonamides
Alternative Parents	Tosyl compounds Benzenesulfonyl compounds Organosulfonic acids and derivatives Aminosulfonyl compounds Organic carbonic acids and derivatives Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework	Aromatic homomonocyclic compounds
Substituents	Benzenesulfonamide - Tosyl compound - Benzenesulfonyl group - Toluene - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Sulfonyl - Aminosulfonyl compound - Carbonic acid derivative - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organic oxygen compound - Carbonyl group - Aromatic homomonocyclic compound
Description	This compound belongs to the class of organic compounds known as benzenesulfonamides. These are organic compounds containing a sulfonamide group that is S-linked to a benzene ring.
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	488191090
Pubchem Sid Url	https://pubchem.ncbi.nlm.nih.gov/substance/488191090
IUPAC Name	tert-butyl N-(4-methylphenyl)sulfonylcarbamate
INCHI	InChI=1S/C12H17NO4S/c1-9-5-7-10(8-6-9)18(15,16)13-11(14)17-12(2,3)4/h5-8H,1-4H3,(H,13,14)
InChIKey	DUTLOVSBVBGNDM-UHFFFAOYSA-N
Smiles	CC1=CC=C(C=C1)S(=O)(=O)NC(=O)OC(C)(C)C
Isomeric SMILES	CC1=CC=C(C=C1)S(=O)(=O)NC(=O)OC(C)(C)C
WGK Germany	3
Molecular Weight	271.33
Reaxy-Rn	2858665
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2858665&ln=

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

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Lot Number	Certificate Type	Date	Item
G1924198	Certificate of Analysis	May 15, 2023	N159720

Chemical and Physical Properties

Melt Point(°C)	121-123°C
Molecular Weight	271.330 g/mol
XLogP3	2.500
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	4
Exact Mass	271.088 Da
Monoisotopic Mass	271.088 Da
Topological Polar Surface Area	80.900 Å²
Heavy Atom Count	18
Formal Charge	0
Complexity	383.000
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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