Dimethyl 2-aminoterephthalate

Basic Information

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CAS Number

5372-81-6

Molecular Formula

C10H11NO4

Molecular Weight

209.2 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

Basic Physical Properties

Melting Point

127-130 °C

Boiling Point

348.55°C (rough estimate)

Water Solubility

Insoluble in water.

Flash Point

172.6 °C

Solubility

0.04g/l insoluble

Refractive Index

1.5400 (estimate)

SMILES

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COC(=O)C1=CC(=C(C=C1)C(=O)OC)N

InChI

InChI=1S/C10H11NO4/c1-14-9(12)6-3-4-7(8(11)5-6)10(13)15-2/h3-5H,11H2,1-2H3

InChIKey

DSSKDXUDARIMTR-UHFFFAOYSA-N

LogP

0.8420000000000001

Topological Polar Surface Area

78.62 Å²

Hydrogen Bond Donor/Acceptor

2 / 5

Complexity

254

Safety Information

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Hazard Statement

H315 Causes skin irritation
Skin corrosion/irritation

H319 Causes serious eye irritation
Serious eye damage/eye irritation

H335 May cause respiratory irritation
Specific target organ toxicity, single exposure; Respiratory tract irritation

Synonyms & References

English

D5462
Dimethyl 3-aminoterephthalate
2-amino-terephthalic acid dimethyl ester
Aminoterephthalic acid, dimethyl ester
Dimethyl aminoterephthalate
EN300-19587
AC-13290
F0850-6740
2-Aminoterephthalic acid dimethyl ester
1,4-dimethyl 2-aminobenzene-1,4-dicarboxylate
MLS000039796
1, 2-amino-, dimethyl ester
CHEMBL1336047
SMR000035342
DTXSID5022225
NSC20561
CS-0054054
Dimethyl-2-amino-terephthalate
CCG-202923
SR-01000597198-1
InChI=1/C10H11NO4/c1-14-9(12)6-3-4-7(8(11)5-6)10(13)15-2/h3-5H,11H2,1-2H
2-Aminodimethyl terephthalate
1,4-Benzenedicarboxylic acid, 2-amino-, dimethyl ester
dimethyl 2-aminobenzene-1,4-dioate
EINECS 226-364-2
MFCD00008427
91SF4E6I9W
Terephthalic acid, amino-, dimethyl ester
SCHEMBL29358
PS-4583
SR-01000597198

MDL Number

MFCD00008427

Customs Code

29224995

FAQ

What are the physical and chemical properties of Dimethyl 2-aminoterephthalate (CAS: 5372-81-6)?

Dimethyl 2-aminoterephthalate is a white crystalline solid with a molecular weight of approximately 258.28 g/mol. It is slightly soluble in water and more soluble in organic solvents. This compound exhibits good reactivity towards nucleophiles, making it suitable for various chemical transformations. It is stable under normal conditions but may decompose at high temperatures or in the presence of strong acids.

How is Dimethyl 2-aminoterephthalate (CAS: 5372-81-6) typically synthesized?

Dimethyl 2-aminoterephthalate is commonly synthesized through a multistep process involving the amination of terephthaloyl chloride with dimethylamine, followed by neutralization with a base. The reaction typically uses a catalyst like sodium carbonate, and the yield is around 85-90%. The process involves careful temperature control and solvent selection to achieve high product purity.

What industries use Dimethyl 2-aminoterephthalate (CAS: 5372-81-6)?

Dimethyl 2-aminoterephthalate is primarily used in the pharmaceutical and polymer industries. It serves as a key intermediate in the synthesis of certain therapeutic agents and is also employed in the production of polyesters and other polymer-based materials. Its application in sensors and semiconductors is also growing due to its unique chemical properties.

What precautions should be taken when handling Dimethyl 2-aminoterephthalate (CAS: 5372-81-6)?

When handling Dimethyl 2-aminoterephthalate, it is important to wear appropriate personal protective equipment (PPE), including gloves, safety glasses, and a lab coat. Fume hoods should be used during operations to minimize inhalation risk. Spills should be cleaned up using absorbent materials, and the area should be flushed with water. Always refer to the Safety Data Sheet (SDS) for detailed handling and disposal instructions.