2-Methyl-2-propanyl 1H-spiro[isoquinoline-4,4'-piperidine]-2(3H)-carboxylate

Basic Information

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CAS Number

857898-70-5

Molecular Formula

C18H26N2O2

Molecular Weight

302.42 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

Basic Physical Properties

Boiling Point

428℃

Density

1.13

Flash Point

213℃

Refractive Index

1.57

SMILES

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CC(C)(C)OC(=O)N1CC2=CC=CC=C2C3(C1)CCNCC3

InChI

InChI=1S/C18H26N2O2/c1-17(2,3)22-16(21)20-12-14-6-4-5-7-15(14)18(13-20)8-10-19-11-9-18/h4-7,19H,8-13H2,1-3H3

InChIKey

PYRPHEQXDLNURT-UHFFFAOYSA-N

LogP

3.0585000000000013

Topological Polar Surface Area

41.57000000000001 Å²

Hydrogen Bond Donor/Acceptor

1 / 4

Complexity

410

Synonyms & References

English

AS-50688
P10874
t-Butyl 1H-spiro[isoquinoline-4,4'-piperidine]-2(3H)-carboxylate
CS-0048452
tert-butyl spiro[1,3-dihydroisoquinoline-4,4'-piperidine]-2-carboxylate
AM804425
857898-70-5
tert-butyl 2,3-dihydro-1H-spiro[isoquinoline-4,4'-piperidine]-2-carboxylate
AKOS015900714
DTXSID10678294
SY046819
MFCD09959723
SCHEMBL652952
PYRPHEQXDLNURT-UHFFFAOYSA-N
2-Boc-2,3-dihydro-1H-spiro[isoquinoline-4,4 inverted exclamation mark -piperidine]
tert-Butyl 1H-spiro[isoquinoline-4,4'-piperidine]-2(3H)-carboxylate
A853464
FT-0649014
PB25255
EN300-3442705
Spiro[isoquinoline-4(1H),4'-piperidine]-2(3H)-carboxylic acid, 1,1-dimethylethyl ester
tert-butyl spiro[1,3-dihydroisoquinoline-4,4-piperidine]-2-carboxylate

MDL Number

MFCD09959723

Customs Code

2933990090

FAQ

What are the physical and chemical properties of 2-Methyl-2-propanyl 1H-spiro[isoquinoline-4,4'-piperidine]-2(3H)-carboxylate (CAS: 857898-70-5)?

2-Methyl-2-propanyl 1H-spiro[isoquinoline-4,4'-piperidine]-2(3H)-carboxylate (CAS: 857898-70-5) is a white crystalline solid with a molecular weight of approximately 328.42 g/mol. It has a moderate solubility in organic solvents such as methanol and ethanol. The compound is relatively stable but can react with strong acids or bases. It is not flammable and has a low reactivity under normal conditions.

How is 2-Methyl-2-propanyl 1H-spiro[isoquinoline-4,4'-piperidine]-2(3H)-carboxylate (CAS: 857898-70-5) typically synthesized?

2-Methyl-2-propanyl 1H-spiro[isoquinoline-4,4'-piperidine]-2(3H)-carboxylate (CAS: 857898-70-5) is typically synthesized via a multi-step process involving the reaction of an appropriate starting material with a piperidine ring, followed by the formation of the spiro structure with isoquinoline. The reaction is catalyzed by a palladium compound, and the process achieves a high yield with good selectivity.

What industries use 2-Methyl-2-propanyl 1H-spiro[isoquinoline-4,4'-piperidine]-2(3H)-carboxylate (CAS: 857898-70-5)?

2-Methyl-2-propanyl 1H-spiro[isoquinoline-4,4'-piperidine]-2(3H)-carboxylate (CAS: 857898-70-5) is primarily used in the pharmaceutical industry for the development of new drugs due to its unique chemical structure. It also has applications in the sensor industry for its potential use in detecting specific chemical compounds.

What precautions should be taken when handling 2-Methyl-2-propanyl 1H-spiro[isoquinoline-4,4'-piperidine]-2(3H)-carboxylate (CAS: 857898-70-5)?

When handling 2-Methyl-2-propanyl 1H-spiro[isoquinoline-4,4'-piperidine]-2(3H)-carboxylate (CAS: 857898-70-5), it is important to use appropriate personal protective equipment (PPE) such as gloves and safety glasses. The compound should be stored in a fume hood to avoid inhalation. In case of a spill, immediate cleanup should be performed using absorbent materials, and the area should be well-ventilated. Refer to the Safety Data Sheet (SDS) for detailed handling and disposal instructions.