Methyl 4-amino-5-(ethylsulfonyl)-2-methoxybenzoate

Basic Information

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CAS Number

80036-89-1

Molecular Formula

C11H15NO5S

Molecular Weight

273.31 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 Amines

Fine Chemicals Dyes and Pigments Organic Dyes

Fine Chemicals Surfactants Anionic Surfactants

Basic Physical Properties

Boiling Point

514.5 ℃ at 760 mmHg

SMILES

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CCS(=O)(=O)C1=C(C=C(C(=C1)C(=O)OC)OC)N

InChI

InChI=1S/C11H15NO5S/c1-4-18(14,15)10-5-7(11(13)17-3)9(16-2)6-8(10)12/h5-6H,4,12H2,1-3H3

InChIKey

BBWJVKZAKHIKRQ-UHFFFAOYSA-N

LogP

0.8576

Topological Polar Surface Area

95.69 Å²

Hydrogen Bond Donor/Acceptor

2 / 6

Complexity

389

Safety Information

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Hazard Statement

Synonyms & References

English

80036-89-1
AC2435
J-522301
AC-6118
methyl 4-amino-5-(ethylsulfonyl)-2-methoxybenzoate
methyl 4-amino-5-(ethanesulfonyl)-2-methoxybenzoate
methyl4-amino-5-(ethylsulfonyl)-2-methoxybenzoate
AKOS015843676
PS-7264
METHYL 4-AMINO-5-(ETHYLSULPHONYL)-2-METHOXYBENZOATE
A839813
DTXSID00512653
FT-0645038
2-Methoxy-4-amino-5-ethsulfonyl benzoic acid methyl ester
Methyl 4-amino-5-ethylsulfonyl-2-methoxybenzoate
SY042588
SCHEMBL12070949
MFCD07787259
BCP22950
2-methoxyl-4-amino-5-ethylsulfonyl methyl benzoate
Methyl 4-amino-5-(ethylsulfonyl)-2-methoxybenzoate
2-methoxy-4-amino-5-ethysulfonyl benzoic acid methyl ester
2-methoxyl-4-amine-5-ethylsulfonyl methyl benzoate
4-Amino-5-ethanesulfonyl-2-methoxy-benzoic acid methyl ester
EBD55155
SBB066400
OR3572
CM0117
LS11

MDL Number

MFCD07787259

Customs Code

2922509090

FAQ

What are the physical and chemical properties of Methyl 4-amino-5-(ethylsulfonyl)-2-methoxybenzoate (CAS: 80036-89-1)?

Methyl 4-amino-5-(ethylsulfonyl)-2-methoxybenzoate is a crystalline compound with a molecular weight of approximately 317.4 g/mol. It has a solubility of about 0.5 g/L in water. This compound is moderately reactive, particularly with bases and reducing agents. It is stable under normal storage conditions but should be stored in a cool, dry place away from direct sunlight.

How is Methyl 4-amino-5-(ethylsulfonyl)-2-methoxybenzoate (CAS: 80036-89-1) typically synthesized?

Methyl 4-amino-5-(ethylsulfonyl)-2-methoxybenzoate is usually synthesized via a multi-step process involving the condensation of 4-amino-5-(ethylsulfonyl)-2-methoxybenzoic acid with methyl alcohol. The reaction typically requires a suitable base as a catalyst, and high yield can be achieved with appropriate conditions. The synthetic route is selective and efficient, producing a high purity product.

What industries use Methyl 4-amino-5-(ethylsulfonyl)-2-methoxybenzoate (CAS: 80036-89-1)?

Methyl 4-amino-5-(ethylsulfonyl)-2-methoxybenzoate is used in various industries, particularly in pharmaceuticals for its use as a precursor in the synthesis of certain drugs. It is also utilized in the polymer industry for its properties as a plasticizer and in the sensor industry for its potential use as a sensing material due to its chemical reactivity.

What precautions should be taken when handling Methyl 4-amino-5-(ethylsulfonyl)-2-methoxybenzoate (CAS: 80036-89-1)?

Precautions when handling Methyl 4-amino-5-(ethylsulfonyl)-2-methoxybenzoate include wearing appropriate personal protective equipment (PPE) such as gloves and goggles. Work should be conducted in a well-ventilated area or a fume hood to minimize inhalation risk. Spills should be contained and cleaned up using appropriate absorbent materials. Always refer to the Safety Data Sheet (SDS) for detailed handling and safety information.