2-Methyl-2-propanyl 5-chloro-1,2-dihydro-1'H-spiro[indole-3,4'-piperidine]-1'-carboxylate

Basic Information

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CAS Number

637362-21-1

Molecular Formula

C17H23ClN2O2

Molecular Weight

322.84 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

Fine Chemicals Dyes and Pigments Organic Dyes

Fine Chemicals Surfactants Anionic Surfactants

Agricultural Chemicals Pesticides Herbicides

Basic Physical Properties

SMILES

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O=C(N1CCC2(CC1)CNC3=C2C=C(Cl)C=C3)OC(C)(C)C

InChI

InChI=1S/C17H23ClN2O2/c1-16(2,3)22-15(21)20-8-6-17(7-9-20)11-19-14-5-4-12(18)10-13(14)17/h4-5,10,19H,6-9,11H2,1-3H3

InChIKey

YONFPBXPHBCLTK-UHFFFAOYSA-N

LogP

4.034200000000003

Topological Polar Surface Area

41.57000000000001 Å²

Hydrogen Bond Donor/Acceptor

1 / 4

Synonyms & References

English

tert-Butyl 5-chlorospiro[indoline-3,4'-piperidine]-1'-carboxylate
tert-butyl 5-chlorospiro[1,2-dihydroindole-3,4'-piperidine]-1'-carboxylate
5-chlorospiro[indoline-3,4'-piperidine]-1'-carboxylic acid tert-butyl es
ANW-52804
CTK5B9773
Spiro[3H-indole-3,4'-piperidine]-1'-carboxylic acid, 5-chloro-1,2-dihydro-, 1,1-dimethylethyl ester
tert-butyl 5-chloro-1,2-dihydro-1'H-spiro[indole-3,4'-piperidine]-1'-carboxylate
tert-butyl 5-chlorospiro[indoline-3,4'-piperidine]-1'-carboxylate

MDL Number

MFCD12198568

Customs Code

2933990090

FAQ

What are the physical and chemical properties of 2-Methyl-2-propanyl 5-chloro-1,2-dihydro-1'H-spiro[indole-3,4'-piperidine]-1'-carboxylate (CAS: 637362-21-1)?

2-Methyl-2-propanyl 5-chloro-1,2-dihydro-1'H-spiro[indole-3,4'-piperidine]-1'-carboxylate is a crystalline compound with a molecular weight of approximately 323.8 g/mol. It has a low solubility in water but is more soluble in organic solvents like methanol and ethanol. The compound is moderately reactive in acidic or basic conditions and can undergo substitution reactions. It is stable under normal conditions but should be stored in a cool, dry place away from direct sunlight.

How is 2-Methyl-2-propanyl 5-chloro-1,2-dihydro-1'H-spiro[indole-3,4'-piperidine]-1'-carboxylate (CAS: 637362-21-1) typically synthesized?

2-Methyl-2-propanyl 5-chloro-1,2-dihydro-1'H-spiro[indole-3,4'-piperidine]-1'-carboxylate is typically synthesized via a multistep process involving coupling reactions and ring formation. Commonly, it involves the reaction of 5-chloro-1,2-dihydro-1'H-spiro[indole-3,4'-piperidine]-1'-carboxylic acid with 2-methyl-2-propanol in the presence of a coupling agent like HATU and a base such as DIPEA. The reaction proceeds with high selectivity and yields up to 90%.

What industries use 2-Methyl-2-propanyl 5-chloro-1,2-dihydro-1'H-spiro[indole-3,4'-piperidine]-1'-carboxylate (CAS: 637362-21-1)?

2-Methyl-2-propanyl 5-chloro-1,2-dihydro-1'H-spiro[indole-3,4'-piperidine]-1'-carboxylate finds applications in the pharmaceutical and fine chemical industries. It is used as an intermediate in the synthesis of bioactive compounds and drug candidates. Its structural complexity and functional groups make it valuable for developing new materials and pharmaceuticals.

What precautions should be taken when handling 2-Methyl-2-propanyl 5-chloro-1,2-dihydro-1'H-spiro[indole-3,4'-piperidine]-1'-carboxylate (CAS: 637362-21-1)?

When handling 2-Methyl-2-propanyl 5-chloro-1,2-dihydro-1'H-spiro[indole-3,4'-piperidine]-1'-carboxylate, it is essential to wear appropriate personal protective equipment (PPE), including gloves, goggles, and a lab coat. Ensure the work is conducted in a well-ventilated area or under a fume hood. Spills should be handled with caution using absorbent materials, and the area should be well-ventilated. Always consult the Safety Data Sheet (SDS) for detailed safety information and emergency procedures.