tert-butyl 4-aminobenzoate

Basic Information

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CAS Number

18144-47-3

Molecular Formula

C11H15NO2

Molecular Weight

193.25 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

Melting Point

108-110 °C

Boiling Point

322.4℃ at 760 mmHg

Density

1.078

Flash Point

173.6±17.9 °C

Refractive Index

1.538

SMILES

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

InChI

InChI=1S/C11H15NO2/c1-11(2,3)14-10(13)8-4-6-9(12)7-5-8/h4-7H,12H2,1-3H3

InChIKey

KYORUZMJUKHKFS-UHFFFAOYSA-N

LogP

2.2241

Topological Polar Surface Area

52.32 Å²

Hydrogen Bond Donor/Acceptor

2 / 3

Complexity

200

Safety Information

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GHS Hazard Pictograms

H315

H319

H335

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

p-Aminobenzoic acid tert-butyl ester
4-tert.butoxycarbonyl-aniline
KYORUZMJUKHKFS-UHFFFAOYSA-N
4-Aminobenzoic Acid tert-Butyl Ester
NSC31647
4-Aminobenzoic acid 1,1-dimethylethyl ester
4-amino-benzoic acid t-butyl ester
4-aminobenzoic acid t-butyl ester
MFCD00665790
T-Butyl 4-aminobenzoate
TERT-BUTYL-4-AMINOBENZOATE
SCHEMBL380152
t-butyl-4-aminobenzoate
B3504
AB1270
4-amino benzoic acid t-butyl ester
4-Amino-benzoic acid tert-butyl ester
DTXSID00283457
AM798
1,1-dimethylethyl 4-aminobenzoate
4-tert.butyloxycarbonyl-aniline
EN300-123284
J-524838
Benzoic acid, 4-amino-, 1,1-dimethylethyl ester
AC-8126
tert-Butyl 4-aminobenzoate, >=98.0% (NT)
tert-Butyl4-aminobenzoate
2-methyl-2-propanyl 4-aminobenzoate
tert-Butyl 4-aminobenzoate
SY023203
CS-M1336

MDL Number

MFCD00665790

Customs Code

2922499990

FAQ

What are the physical and chemical properties of tert-butyl 4-aminobenzoate (CAS: 18144-47-3)?

Tert-butyl 4-aminobenzoate (CAS: 18144-47-3) is a white crystalline solid with a molecular weight of 228.27 g/mol. It is slightly soluble in water but soluble in organic solvents like ethanol and acetone. The compound is moderately reactive towards bases and nucleophiles. It exhibits good thermal stability and is stable under normal storage conditions.

How is tert-butyl 4-aminobenzoate (CAS: 18144-47-3) typically synthesized?

Tert-butyl 4-aminobenzoate is typically synthesized via the reaction of 4-bromobenzoic acid with tert-butylamine in the presence of a suitable base like sodium hydride. The product is isolated by recrystallization from an appropriate solvent. The reaction is highly selective and provides a yield of about 75-85%.

What industries use tert-butyl 4-aminobenzoate (CAS: 18144-47-3)?

Tert-butyl 4-aminobenzoate (CAS: 18144-47-3) is primarily used in the pharmaceutical industry as a precursor for the synthesis of various drug molecules. It is also used in the polymer industry for improving the thermal stability of polymers. Additionally, it finds applications in the production of sensors and as a chemical reagent.

What precautions should be taken when handling tert-butyl 4-aminobenzoate (CAS: 18144-47-3)?

When handling tert-butyl 4-aminobenzoate (CAS: 18144-47-3), it is important to wear appropriate personal protective equipment (PPE), including gloves, goggles, and a lab coat. Store the compound in a cool, dry place away from direct sunlight and heat sources. Use a fume hood when performing operations that may generate airborne particles. In case of a spill, handle it in accordance with the Material Safety Data Sheet (MSDS) guidelines, and seek medical attention if necessary.