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Structure

4-(N,N-Diethylsulphonamido)benzeneboronic acid

CAS
850568-76-2
Catalog Number
ACM850568762
Category
Other Products
Molecular Weight
257.11
Molecular Formula
C10H16BNO4S

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Specification

Synonyms
850568-76-2, N,N-Diethyl 4-boronobenzenesulfonamide, 4-(N,N-Diethylsulphamoyl)benzeneboronic acid, ACMC-209q2n, SureCN12077562, CTK5F3988, MolPort-001-768-456, ANW-38061, OR4029, 4-(diethylsulfamoyl)phenylboronic acid, AKOS015833720, N,N-Diethyl-4-boronobenzenesulfonamide, AB26465, AG-H-41312, N,N-Diethyl 4-boronobenzenesulfonamide,, KB-56551, X2447, 4-(DIETHYLSULFAMOYL)BENZENEBORONIC ACID, B-4178, 4-(N,N-DIETHYLSULFAMOYL)PHENYLBORONIC ACID
IUPAC Name
[4-(diethylsulfamoyl)phenyl]boronic acid
Canonical SMILES
B(C1=CC=C(C=C1)S(=O)(=O)N(CC)CC)(O)O
InChI Key
HMGSSHUKMMHXLR-UHFFFAOYSA-N
Boiling Point
428.2ºC at 760 mmHg
Melting Point
120-124ºC
Flash Point
212.8ºC
Density
1.29g/cm³
Exact Mass
257.08900
Hazard Statements
Xi: Irritant;
H-Bond Acceptor
5
H-Bond Donor
2

Downstream Synthesis Route 1

  • 850568-76-2
  • 1451092-95-7
  • 1451094-10-2

Reference: [1]Current Patent Assignee: ROCHE HOLDING AG - US2013/225588, 2013, A1
Location in patent: Paragraph 0370; 0371

Downstream Synthesis Route 2

  • 850568-76-2
  • 1227259-08-6
  • 1451094-36-2

Reference: [1]Current Patent Assignee: ROCHE HOLDING AG - US2013/225588, 2013, A1
Location in patent: Paragraph 0409; 0410

* For details of the synthesis route, please refer to the original source to ensure accuracy.

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