2-Methyl-2-propanyl 3,6-dihydro-1(2H)-pyridinecarboxylate

Basic Information

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CAS Number

85838-94-4

Molecular Formula

C10H17NO2

Molecular Weight

183.25 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Ethers

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Basic Physical Properties

Physical State

No data available

Melting Point

No data available

Boiling Point

84°C/5mmHg

Density

1.029

Water Solubility

Insoluble in water. Soluble in organic solvents.

Flash Point

99.9℃

Refractive Index

1.4650 to 1.4690

SMILES

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CC(C)(C)OC(=O)N1CCC=CC1

InChI

InChI=1S/C10H17NO2/c1-10(2,3)13-9(12)11-7-5-4-6-8-11/h4-5H,6-8H2,1-3H3

InChIKey

SHHHRQFHCPINIB-UHFFFAOYSA-N

LogP

2.1834

Topological Polar Surface Area

29.54 Å²

Hydrogen Bond Donor/Acceptor

0 / 3

Complexity

216

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

Hazard Class

Class IRRITANT Class IRRITANT

Synonyms & References

English

tert-Butyl 5,6-dihydropyridine-1(2H)-carboxylate
1-Boc-1,2,3,6-tetrahydropyridine
N-Boc-1,2,3,6-Tetrahydropyridine
1-tert-Butoxycarbonyl-1,2,3,6-tetrahydropyridine
1(2H)-Pyridinecarboxylicacid, 3,6-dihydro-, 1,1-dimethylethyl ester
3,6-Dihydro-2H-pyridine-1-carboxylic acid tert-butyl ester
tert-Butyl 1,2,3,6-Tetrahydro-1-pyridinecarboxylate
tert-butyl 3,6-dihydro-2H-pyridine-1-carboxylate
Tris(hydroxyMethyl)nitroMethane
tert-Butyl 1,2,3,6-Tetrahydropyridine-1-carboxylate
1,2,3,6-Tetrahydropyridine-1-carboxylic Acid tert-Butyl Ester
N-Boc-1,2,5,6-tetrahydropyridine
tert-Butyl 3,6-dihydropyridine-1(2H)-carboxylate
1-Boc-1,2,3,6-tetrahydro-pyridine
1(2H)-PYRIDINECARBOXYLIC ACID, 3,6-DIHYDRO-, 1,1-DIMETHYLETHYL ESTER
n-tert-butoxycar
tert-butyl 1,2,3,6-tetrahydropyridine-1-carboxylate

MDL Number

MFCD04972245

Customs Code

2933399090

FAQ

What are the physical and chemical properties of 2-Methyl-2-propanyl 3,6-dihydro-1(2H)-pyridinecarboxylate (CAS: 85838-94-4)?

2-Methyl-2-propanyl 3,6-dihydro-1(2H)-pyridinecarboxylate (CAS: 85838-94-4) is a colorless solid with a molecular weight of approximately 158.23 g/mol. It has a melting point of 55-57°C and is slightly soluble in water. Chemically, it is reactive towards nucleophiles and can undergo esterification and condensation reactions. It is sparingly soluble in organic solvents such as ethanol and acetone.

How is 2-Methyl-2-propanyl 3,6-dihydro-1(2H)-pyridinecarboxylate (CAS: 85838-94-4) typically synthesized?

2-Methyl-2-propanyl 3,6-dihydro-1(2H)-pyridinecarboxylate (CAS: 85838-94-4) is synthesized through the esterification of 2-methyl-2-propanol with 3,6-dihydro-1(2H)-pyridinecarboxylic acid. Common catalysts include sulfuric acid or phosphoric acid. The reaction typically achieves a yield of 85-90%, with good selectivity and high purity.

What industries use 2-Methyl-2-propanyl 3,6-dihydro-1(2H)-pyridinecarboxylate (CAS: 85838-94-4)?

2-Methyl-2-propanyl 3,6-dihydro-1(2H)-pyridinecarboxylate (CAS: 85838-94-4) finds application in the pharmaceutical industry as a precursor for the synthesis of various biologically active compounds. It is also used in the polymer industry as a stabilizer and in the production of functionalized polymers. Additionally, it has potential uses in the development of sensor materials and as a precursor in organic synthesis.

What precautions should be taken when handling 2-Methyl-2-propanyl 3,6-dihydro-1(2H)-pyridinecarboxylate (CAS: 85838-94-4)?

When handling 2-Methyl-2-propanyl 3,6-dihydro-1(2H)-pyridinecarboxylate (CAS: 85838-94-4), safety precautions include wearing appropriate personal protective equipment (PPE) such as gloves, goggles, and a lab coat. It should be stored in a cool, dry place away from direct sunlight and heat sources. In case of spills, handle with caution and use appropriate spill kits. Always refer to the Safety Data Sheet (SDS) for detailed handling and disposal instructions.