Methyl 2-{[(4-methoxy-6-methyl-1,3,5-triazin-2-yl)(methyl)carbamoyl]sulfamoyl}benzoate

Basic Information

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CAS Number

101200-48-0

Molecular Formula

C15H17N5O6S

Molecular Weight

395.4 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Esters

Basic Chemical Raw Materials Organic Chemicals Ethers

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Fine Chemicals Dyes and Pigments Organic Dyes

Fine Chemicals Surfactants Anionic Surfactants

Basic Physical Properties

Melting Point

141 ºC

Boiling Point

376.6 oC

Flash Point

181.6 oC

Refractive Index

1.6460 (estimate)

SMILES

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CC1=NC(=NC(=N1)OC)N(C)C(=O)NS(=O)(=O)C2=CC=CC=C2C(=O)OC

InChI

InChI=1S/C15H17N5O6S/c1-9-16-13(18-14(17-9)26-4)20(2)15(22)19-27(23,24)11-8-6-5-7-10(11)12(21)25-3/h5-8H,1-4H3,(H,19,22)

InChIKey

VLCQZHSMCYCDJL-UHFFFAOYSA-N

LogP

0.16331999999999947

Topological Polar Surface Area

149.46999999999997 Å²

Hydrogen Bond Donor/Acceptor

2 / 11

Complexity

639

Safety Information

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GHS Hazard Pictograms

H317

H410

Hazard Statement

H317 May cause an allergic skin reaction
Sensitization, Skin

H410 Very toxic to aquatic life with long lasting effects
Hazardous to the aquatic environment, long-term hazard

Synonyms & References

English

HMS1786D20
Express
Tox21_202549
METHYL 2-[4-METHOXY-6-METHYL-1,3,5-TRAZIN-2-YL(METHYL)CARBAMOYLSULFAMOYL]BENZOATE
Methyl 2-((((N-(4-methoxy-6-methyl-1,3,5-triazin-2-yl)methylamino)carbonyl)amino)sulfonyl)benzoate
DPX-L 5300
Express (pesticide)
NCGC00163779-02
methyl 2-[({[(4-methoxy-6-methyl-1,3,5-triazin-2-yl)(methyl)amino]carbonyl}amino)sulfonyl]benzoate
Tribenuron-methyl, PESTANAL(R), analytical standard
benzoic acid, 2-(((((4-methoxy-6-methyl-1,3,5-triazin-2- yl)methylamino)carbonyl)amino)sulfonyl)-, methyl ester
101200-48-0
UNII-D0493A985P
2-[[[(4-methoxy-6-methyl-1,3,5-triazin-2-yl)-methylamino]-oxomethyl]sulfamoyl]benzoic acid methyl ester
Tribenuron Methylester
methyl 2-[[(4-methoxy-6-methyl-1,3,5-triazin-2-yl)-methylcarbamoyl]sulfamoyl]benzoate
MFCD03955329
HY-111912
H10007
Cameo (pesticide)
CS-0093920
HELM-TRIBI 75WG
methyl 2-{[(4-methoxy-6-methyl-1,3,5-triazin-2-yl)(methyl)carbamoyl]sulfamoyl}benzoate
HSDB 6851
Q2394026
methyl 2-[[(4-methoxy-6-methyl-1,3,5-triazin-2-yl)-methyl-carbamoyl]sulfamoyl]benzoate
2-[[-N-[4-methoxy-6-methyl-1,3,5-triazin-2-yl]N-methylaminocarbonyl]aminosulfonyl]benzoic acid, methyl ester
L 5300
TRIBENURON-METHYL [HSDB]
CHEBI:9678
EC 401-190-1

MDL Number

MFCD03955329

Customs Code

2935009011

FAQ

What are the physical and chemical properties of Methyl 2-{[(4-methoxy-6-methyl-1,3,5-triazin-2-yl)(methyl)carbamoyl]sulfamoyl}benzoate (CAS: 101200-48-0)?

Methyl 2-{[(4-methoxy-6-methyl-1,3,5-triazin-2-yl)(methyl)carbamoyl]sulfamoyl}benzoate (CAS: 101200-48-0) is a crystalline solid with a molecular weight of approximately 528.48 g/mol. It is soluble in common organic solvents like DMF and DMSO but has limited water solubility. The compound is known for its high reactivity, particularly in nucleophilic substitution reactions. It exhibits good thermal stability and minimal reactivity in neutral to basic pH conditions.

How is Methyl 2-{[(4-methoxy-6-methyl-1,3,5-triazin-2-yl)(methyl)carbamoyl]sulfamoyl}benzoate (CAS: 101200-48-0) typically synthesized?

Methyl 2-{[(4-methoxy-6-methyl-1,3,5-triazin-2-yl)(methyl)carbamoyl]sulfamoyl}benzoate (CAS: 101200-48-0) is synthesized via a multi-step process involving the coupling of 4-methoxy-6-methyl-1,3,5-triazin-2-yl methyl carbamate with benzoic acid. The reaction is catalyzed by a suitable acid or base, and the product is isolated by crystallization. The overall yield is moderate to good, and the reaction is selective and highly efficient.

What industries use Methyl 2-{[(4-methoxy-6-methyl-1,3,5-triazin-2-yl)(methyl)carbamoyl]sulfamoyl}benzoate (CAS: 101200-48-0)?

Methyl 2-{[(4-methoxy-6-methyl-1,3,5-triazin-2-yl)(methyl)carbamoyl]sulfamoyl}benzoate (CAS: 101200-48-0) is primarily used in the pharmaceutical industry for the synthesis of various medicinal compounds. It also finds applications in the polymer industry as a stabilizer and in the production of advanced materials. Additionally, it is used in the development of sensors and semiconductors due to its unique chemical properties.

What precautions should be taken when handling Methyl 2-{[(4-methoxy-6-methyl-1,3,5-triazin-2-yl)(methyl)carbamoyl]sulfamoyl}benzoate (CAS: 101200-48-0)?

When handling Methyl 2-{[(4-methoxy-6-methyl-1,3,5-triazin-2-yl)(methyl)carbamoyl]sulfamoyl}benzoate (CAS: 101200-48-0), it is essential to use appropriate personal protective equipment (PPE) such as gloves, safety goggles, and a lab coat. The compound should be handled in a well-ventilated area or a fume hood to minimize exposure. Spills should be cleaned up using appropriate absorbents, and the area should be well-ventilated. A safety data sheet (SDS) should be consulted for specific handling and disposal procedures.