3-[(Ethoxycarbonyl)amino]phenyl phenylcarbamate

Basic Information

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CAS Number

13684-56-5

Molecular Formula

C16H16N2O4

Molecular Weight

300.31 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Ethers

Fine Chemicals Dyes and Pigments Organic Dyes

Fine Chemicals Surfactants Anionic Surfactants

Basic Physical Properties

Melting Point

120 ºC

Boiling Point

441.54°C (rough estimate)

Refractive Index

1.6240 (estimate)

SMILES

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CCOC(=O)Nc1cccc(c1)OC(=O)Nc2ccccc2

InChI

InChI=1S/C16H16N2O4/c1-2-21-15(19)18-13-9-6-10-14(11-13)22-16(20)17-12-7-4-3-5-8-12/h3-11H,2H2,1H3,(H,17,20)(H,18,19)

InChIKey

WZJZMXBKUWKXTQ-UHFFFAOYSA-N

LogP

3.8659000000000017

Topological Polar Surface Area

76.66 Å²

Hydrogen Bond Donor/Acceptor

2 / 6

Complexity

369

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

Synonyms & References

English

Ethyl (3-((phenylcarbamoyl)oxy)phenyl)carbamate
Desmedipham
Desmedipham Solution
Desmedipham Standard
[3-[[(Phenylamino)carbonyl]oxy]phenyl]carbamic acid ethyl ester
ethyl {3-[(phenylcarbamoyl)oxy]phenyl}carbamate
ethyl 3-phenylcarbamoyloxycarbanilate
ethyl N-[3-[[(phenylamino)carbonyl]oxy]phenyl]carbamate
EP-475
KEMIFAM
Betanex
SN-38107
Bentanex
synbetand
Tiancaian
BETANAL AM
BETANEX(R)
Betanex70WP

MDL Number

MFCD00055462

Customs Code

2924299038

FAQ

What are the physical and chemical properties of 3-[(Ethoxycarbonyl)amino]phenyl phenylcarbamate (CAS: 13684-56-5)?

3-[(Ethoxycarbonyl)amino]phenyl phenylcarbamate is a solid with a crystalline form. Its molecular weight is approximately 352.41 g/mol. The compound is slightly soluble in water but soluble in organic solvents. It shows moderate reactivity, particularly towards nucleophiles. Its solubility and reactivity make it suitable for various applications in organic synthesis and pharmaceuticals.

How is 3-[(Ethoxycarbonyl)amino]phenyl phenylcarbamate (CAS: 13684-56-5) typically synthesized?

3-[(Ethoxycarbonyl)amino]phenyl phenylcarbamate is typically synthesized through a multistep process involving the coupling of a phenylcarbamate derivative with a 3-(ethoxycarbonylamino) phenylamine. Common solvents include dichloromethane, and the reaction is catalyzed by a suitable base such as triethylamine. The yield is generally high, around 85-90%, and the method involves protecting groups and careful temperature control.

What industries use 3-[(Ethoxycarbonyl)amino]phenyl phenylcarbamate (CAS: 13684-56-5)?

3-[(Ethoxycarbonyl)amino]phenyl phenylcarbamate is used in pharmaceuticals for intermediate synthesis and in the production of certain drugs. It also finds applications in the synthesis of dyes and pigments, as well as in the development of sensors and materials for electronic devices.

What precautions should be taken when handling 3-[(Ethoxycarbonyl)amino]phenyl phenylcarbamate (CAS: 13684-56-5)?

Handling 3-[(Ethoxycarbonyl)amino]phenyl phenylcarbamate requires appropriate personal protective equipment (PPE) such as gloves, goggles, and a lab coat. Work should be performed in a fume hood to avoid inhalation. Spills should be cleaned up immediately with the appropriate absorbent materials. Always refer to the Safety Data Sheet (SDS) for specific handling guidelines and emergency procedures.