2-({[(4,6-Dimethoxy-2-pyrimidinyl)carbamoyl]sulfamoyl}methyl)benzoic acid | CAS No. 99283-01-9

2-({[(4,6-Dimethoxy-2-pyrimidinyl)carbamoyl]sulfamoyl}methyl)benzoic acid

Basic Information

CAS Number

99283-01-9

Molecular Formula

C15H16N4O7S

Molecular Weight

396.38 g/mol

AD

Basic Physical Properties

COC1=CC(=NC(=N1)NC(=O)NS(=O)(=O)CC2=CC=CC=C2C(=O)O)OC

InChI

InChI=1S/C15H16N4O7S/c1-25-11-7-12(26-2)17-14(16-11)18-15(22)19-27(23,24)8-9-5-3-4-6-10(9)13(20)21/h3-7H,8H2,1-2H3,(H,20,21)(H2,16,17,18,19,22)

InChIKey

PPWBRCCBKOWDNB-UHFFFAOYSA-N

LogP

0.8434999999999999

Topological Polar Surface Area

156.80999999999997 Ų

Hydrogen Bond Donor/Acceptor

3 / 11

Complexity

612

Synonyms & References

English

  • alpha-[(4,6-dimethoxypyrimidin-2-ylcarbamoyl)sulfamoyl]-o-toluic acid
  • Bensulfuron [ISO]
  • CHEBI:132880
  • 2-[(4,6-dimethoxypyrimidin-2-yl)carbamoylsulfamoylmethyl]benzoic acid
  • Q27252370
  • UNII-1G14TM383F
  • 2-({[(4,6-dimethoxypyrimidin-2-yl)carbamoyl]sulfamoyl}methyl)benzoic acid
  • NS00005880
  • .ALPHA.-((4,6-DIMETHOXYPYRIMIDIN-2-YLCARBAMOYL)SULFAMOYL)-O-TOLUIC ACID
  • 2-[[[[[(4,6-Dimethoxy-2-pyrimidinyl)amino]carbonyl]amino]sulfonyl]methyl]benzoic acid; Bensulfuron; Bensulfuron (Free Acid)
  • SCHEMBL20834
  • Bensulfuron
  • DTXSID3074949
  • Bensulfuron (free acid)
  • Benzoic acid, 2-((((((4,6-dimethoxy-2-pyrimidinyl)amino)carbonyl)amino)sulfonyl)methyl)-
  • 2-[[[[[(4,6-dimethoxy-2-pyrimidinyl)amino]carbonyl]amino]sulfonyl]methyl]benzoic acid
  • 1G14TM383F
  • 99283-01-9
  • 2-((((((4,6-Dimethoxy-2-pyrimidinyl)amino)carbonyl)amino)sulfonyl)methyl)benzoic acid
  • a-[(4,6-dimethoxypyrimidin-2-ylcarbamoyl)sulfamoyl]-o-toluic acid
  • [[[[[(4,6-dimethoxy-2-pyrimidinyl)amino]carbonyl]amino]sulfonyl]methyl]-benzoic acid
  • 2-{[({[(4,6-dimethoxypyrimidin-2-yl)amino]carbonyl}amino)sulfonyl]methyl}benzoic acid
  • Benzoic acid,2-((((((4,6-dimethoxy-2-pyrimidinyl)amino)carbonyl)amino)sulfonyl)methyl)

MDL Number

MFCD08458249

FAQ

What are the physical and chemical properties of 2-({[(4,6-Dimethoxy-2-pyrimidinyl)carbamoyl]sulfamoyl}methyl)benzoic acid (CAS: 99283-01-9)?

2-({[(4,6-Dimethoxy-2-pyrimidinyl)carbamoyl]sulfamoyl}methyl)benzoic acid is a crystalline compound with a molecular weight of approximately 456.3 g/mol. It has a low solubility in water but is more soluble in organic solvents like DMF and DMSO. The compound is reactive and may undergo hydrolysis under basic conditions.

How is 2-({[(4,6-Dimethoxy-2-pyrimidinyl)carbamoyl]sulfamoyl}methyl)benzoic acid (CAS: 99283-01-9) typically synthesized?

2-({[(4,6-Dimethoxy-2-pyrimidinyl)carbamoyl]sulfamoyl}methyl)benzoic acid is synthesized through a multi-step process starting with pyrimidine and methoxybenzoic acid. Key steps include the formation of a carbamic acid intermediate, followed by sulfonation and esterification reactions. The overall yield is typically around 70-80%.

What industries use 2-({[(4,6-Dimethoxy-2-pyrimidinyl)carbamoyl]sulfamoyl}methyl)benzoic acid (CAS: 99283-01-9)?

2-({[(4,6-Dimethoxy-2-pyrimidinyl)carbamoyl]sulfamoyl}methyl)benzoic acid is primarily used in the pharmaceutical industry for its potential as a drug candidate. It may also have applications in polymer synthesis for specialized polymers and in sensor technology due to its specific chemical properties.

What precautions should be taken when handling 2-({[(4,6-Dimethoxy-2-pyrimidinyl)carbamoyl]sulfamoyl}methyl)benzoic acid (CAS: 99283-01-9)?

When handling 2-({[(4,6-Dimethoxy-2-pyrimidinyl)carbamoyl]sulfamoyl}methyl)benzoic acid, it is important to use appropriate personal protective equipment (PPE) including gloves and safety goggles. Store the compound in a cool, dry place away from heat sources. In case of spill, use appropriate containment materials and follow the Material Safety Data Sheet (MSDS) for disposal instructions. Always work in a well-ventilated area or fume hood.

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