tert-butyl 3-(6-amino-3-methyl-2-pyridyl)benzoate

Basic Information

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CAS Number

1083057-14-0

Molecular Formula

C17H20N2O2

Molecular Weight

284.36 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

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

SMILES

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Nc1ccc(c(n1)c1cccc(c1)C(=O)OC(C)(C)C)C

InChI

InChI=1S/C17H20N2O2/c1-11-8-9-14(18)19-15(11)12-6-5-7-13(10-12)16(20)21-17(2,3)4/h5-10H,1-4H3,(H2,18,19)

InChIKey

RZGNTHQZYZRDDB-UHFFFAOYSA-N

LogP

3.594520000000003

Topological Polar Surface Area

65.21 Å²

Hydrogen Bond Donor/Acceptor

2 / 4

Complexity

364

Safety Information

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Hazard Statement

H302 Harmful if swallowed
Acute toxicity, oral

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

tert-Butyl 3-(6-amino-3-methylpyridin-2-yl)benzoate
3-(6-Amino-3-methyl-pyridin-2-yl)-benzoic acid tert-butyl ester
3-(6-Amino-3-methylpyridin-2-yl)benzoic acid tert-butyl ester
Benzoic acid, 3-(6-amino-3-methyl-2-pyridinyl)-, 1,1-dimethylethyl ester
3-(6-Amino-3-methyl-pyridin-2-yl)-benzoicacidtert-butylester
RZGNTHQZYZRDDB-UHFFFAOYSA-N
BCP14027
SB18038
DS-
EN00268
tert-butyl 3-(6-amino-3-methylpyridin-2-yl)benzoate

MDL Number

MFCD16659611

Customs Code

2933399090

FAQ

What is tert-butyl 3-(6-amino-3-methyl-2-pyridyl)benzoate (CAS: 1083057-14-0)?

tert-butyl 3-(6-amino-3-methyl-2-pyridyl)benzoate (CAS: 1083057-14-0) is an organic compound with a molecular structure that includes a tert-butyl group, a 3-(6-amino-3-methyl-2-pyridyl)benzoate moiety, and a benzene ring. It is a complex aromatic compound with potential applications in pharmaceuticals and research.

What are the main uses of tert-butyl 3-(6-amino-3-methyl-2-pyridyl)benzoate (CAS: 1083057-14-0)?

tert-butyl 3-(6-amino-3-methyl-2-pyridyl)benzoate (CAS: 1083057-14-0) is primarily used as a research tool and intermediary in the development of pharmaceuticals, particularly in the synthesis of certain drugs that require specific functional groups. It may also have applications in agrochemicals and materials science.

Is tert-butyl 3-(6-amino-3-methyl-2-pyridyl)benzoate (CAS: 1083057-14-0) safe?

tert-butyl 3-(6-amino-3-methyl-2-pyridyl)benzoate (CAS: 1083057-14-0) is generally safe when handled with appropriate precautions. It is important to wear protective clothing, gloves, and safety glasses when handling this compound. Avoid contact with eyes, skin, and inhaling the compound. Store in a cool, dry place away from direct sunlight and heat sources.

How should tert-butyl 3-(6-amino-3-methyl-2-pyridyl)benzoate (CAS: 1083057-14-0) be stored?

tert-butyl 3-(6-amino-3-methyl-2-pyridyl)benzoate (CAS: 1083057-14-0) should be stored in a cool, dry place away from direct sunlight and heat sources. Store in a sealed container to prevent degradation. Maintain a temperature below 25°C (77°F) and avoid exposure to high humidity to ensure the compound's stability.