Sulfamic acid, N-[[(4,6-dimethoxy-2-pyrimidinyl)amino]carbonyl]-, 2-ethoxyphenyl ester

Basic Information

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CAS Number

126801-58-9

Molecular Formula

C15H18N4O7S

Molecular Weight

398.4 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

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

145-147°

SMILES

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CCOC1=CC=CC=C1OS(=O)(=O)NC(=O)NC2=NC(=CC(=N2)OC)OC

InChI

InChI=1S/C15H18N4O7S/c1-4-25-10-7-5-6-8-11(10)26-27(21,22)19-15(20)18-14-16-12(23-2)9-13(17-14)24-3/h5-9H,4H2,1-3H3,(H2,16,17,18,19,20)

InChIKey

UWVKRNOCDUPIDM-UHFFFAOYSA-N

LogP

1.3377999999999997

Topological Polar Surface Area

137.96999999999997 Å²

Hydrogen Bond Donor/Acceptor

2 / 11

Complexity

559

Safety Information

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GHS Hazard Pictograms

H410

Hazard Statement

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

Toxicity

LD50 in rats (mg/kg): >3270 orally; >4000 dermally (Hacker)

Synonyms & References

English

1-(2-Ethoxyphenoxysulfonyl)-3-(4,6-dimethoxy-2-pyrimidyl)-urea
UNII-2A9C8090ZD
1-(2-Ethoxyphenoxysulfonyl)-3-(4,6-dimethoxy-2-pyrimidyl)urea
FT-0631123
N'-(4,6-Dimethoxypyrimidin-2-yl)-N-(2-ethoxyphenoxysulfonyl)urea
ETHOXYSULFURON [MI]
Ethoxysulfuron (~90%)
3-(4,6-dimethoxypyrimidin-2-yl)-1-(2-ethoxyphenoxysulfonylurea)
NS00002951
3-(4,6-dimethoxypyrimidin-2-yl)-1-(2-ethoxyphenoxysulfonyl)urea
BDBM50424592
C18440
Sulfamic acid, [[(4,6-dimethoxy-2-pyrimidinyl)amino]carbonyl](2-ethoxyphenyl)-
126801-58-9
CHEMBL2313153
1-(4,6-Dimethoxypyrimidin-2-yl)-3-(2-ethoxyphenoxysulfonyl)urea
A805606
(2-ethoxyphenyl) N-[(4,6-dimethoxypyrimidin-2-yl)carbamoyl]sulfamate
2-Ethoxyphenyl [(4,6-dimethoxy-2-pyrimidinyl)carbamoyl]sulfamate
N-(((4,6-DIMETHOXY-2-PYRIMIDINYL)AMINO)CARBONYL)SULFAMIC ACID 2-ETHOXYPHENYL ESTER
N-[[(4,6-Dimethoxy-2-pyrimidinyl)amino]carbonyl]sulfamic acid, 2-Ethoxyphenyl ester
Ethoxysulfuron [ISO]
Ethoxysulfuron
J-005438
2-ethoxyphenyl 4,6-dimethoxypyrimidin-2-ylcarbamoylsulfamate
Ethoxysulfuron, PESTANAL(R), analytical standard
AS-76182
HOE-095404
SCHEMBL65311
2A9C8090ZD
2-ETHOXYPHENYL (((4,6-DIMETHOXY-2-PYRIMIDINYL)AMINO)CARBONYL)SULFAMATE

MDL Number

MFCD01863143

FAQ

What are the physical and chemical properties of Sulfamic acid, N-[[(4,6-dimethoxy-2-pyrimidinyl)amino]carbonyl]-, 2-ethoxyphenyl ester (CAS: 126801-58-9)?

Sulfamic acid, N-[[(4,6-dimethoxy-2-pyrimidinyl)amino]carbonyl]-, 2-ethoxyphenyl ester has a crystalline form. It has a molecular weight of approximately 437.4 g/mol. The compound is sparingly soluble in water and organic solvents. It exhibits moderate reactivity, particularly in acidic conditions. It is stable under normal laboratory conditions but should be protected from strong bases and oxidizing agents.

How is Sulfamic acid, N-[[(4,6-dimethoxy-2-pyrimidinyl)amino]carbonyl]-, 2-ethoxyphenyl ester (CAS: 126801-58-9) typically synthesized?

Sulfamic acid, N-[[(4,6-dimethoxy-2-pyrimidinyl)amino]carbonyl]-, 2-ethoxyphenyl ester is typically synthesized through a multi-step process involving the condensation of 2-ethoxyphenyl isocyanate with 4,6-dimethoxy-2-pyrimidinamine. The reaction is usually catalyzed by a strong base, and the process yields the desired ester with good selectivity and high yield. The reaction conditions should be carefully controlled to ensure product purity.

What industries use Sulfamic acid, N-[[(4,6-dimethoxy-2-pyrimidinyl)amino]carbonyl]-, 2-ethoxyphenyl ester (CAS: 126801-58-9)?

Sulfamic acid, N-[[(4,6-dimethoxy-2-pyrimidinyl)amino]carbonyl]-, 2-ethoxyphenyl ester is used in various industries, including pharmaceuticals, where it serves as a precursor for the synthesis of specific antiviral compounds. It is also utilized in the polymer industry for the production of certain polymeric materials and in the semiconductor industry for the development of sensors and other electronic components.

What precautions should be taken when handling Sulfamic acid, N-[[(4,6-dimethoxy-2-pyrimidinyl)amino]carbonyl]-, 2-ethoxyphenyl ester (CAS: 126801-58-9)?

When handling Sulfamic acid, N-[[(4,6-dimethoxy-2-pyrimidinyl)amino]carbonyl]-, 2-ethoxyphenyl ester, it is essential to wear appropriate personal protective equipment (PPE) such as gloves, goggles, and a lab coat. Work should be conducted in a well-ventilated area or a fume hood. Spills should be handled with caution, using suitable absorbents, and the area should be cleaned thoroughly. Always refer to the Safety Data Sheet (SDS) for further guidance on handling and storage.