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

Basic Information

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CAS Number

889139-52-0

Molecular Formula

C18H27ClN2O2

Molecular Weight

338.88 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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CC(C)(C)OC(=O)N1CC2=CC=CC=C2C3(C1)CCNCC3.Cl

InChI

InChI=1S/C18H26N2O2.ClH/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;1H

InChIKey

VZPJVDIMBQBNBX-UHFFFAOYSA-N

LogP

3.480300000000002

Topological Polar Surface Area

41.57 Å²

Hydrogen Bond Donor/Acceptor

1 / 4

Complexity

410

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

H332 Harmful if inhaled
Acute toxicity, inhalation

H335 May cause respiratory irritation
Specific target organ toxicity, single exposure; Respiratory tract irritation

Synonyms & References

English

tert-Butyl1H-spiro[isoquinoline-4,4'-piperidine]-2(3H)-carboxylatehydrochloride
Spiro[isoquinoline-4(4H),4'-piperidine]-2(3H)-carboxylic acid 1,1-dimethylethylester monohydrochloride
MB09915
A849095
AKOS016002838
tert-butyl 2,3-dihydro-1H-spiro[isoquinoline-4,4'-piperidine]-2-carboxylate hydrochloride
MFCD11519417
TERT-BUTYL 1H-SPIRO[ISOQUINOLINE-4,4'-PIPERIDINE]-2(3H)-CARBOXYLATE HCL
DS-12969
CS-0187664
tert-butyl spiro[1,3-dihydroisoquinoline-4,4'-piperidine]-2-carboxylate;hydrochloride
SPIRO[ISOQUINOLINE-4(4H),4'-PIPERIDINE]-2(3H)-CARBOXYLIC ACID 1,1-DIMETHYLETHYL ESTER MONOHYDROCHLORIDE
tert-Butyl 1H-spiro[isoquinoline-4,4'-piperidine]-2(3H)-carboxylate--hydrogen chloride (1/1)
DTXSID50678293
AM807965
EN300-7363662
SPIRO[ISOQUINOLINE-4(4H),4-PIPERIDINE]-2(3H)-CARBOXYLIC ACID 1,1-DIMETHYLETHYL ESTER MONOHYDROCHLORIDE
tert-Butyl 1H-spiro[isoquinoline-4,4'-piperidine]-2(3H)-carboxylate hydrochloride
Spiro[isoquinoline-4(4H),4'-piperidine]-2(3H)-carboxylic acid tert-butyl ester HCl
889139-52-0
tert-butyl spiro[1,3-dihydroisoquinoline-4,4'-piperidine]-2-carboxylate,hydrochloride
Spiro[isoquinoline-4(4H),4'-piperidine]-2(3H)-carboxylic acid, 1,1-dimethyl ethyl ester hydrochloride
AX8163384
ST24031719
Z5280
TERT-BUTYL 1H-SPIRO[ISOQUINOLINE-4,4'-PIP

MDL Number

MFCD11519417

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 hydrochloride (CAS: 889139-52-0)?

This compound is a crystalline solid with a molecular weight of approximately 346.37 g/mol. It is slightly soluble in water and has a pKa of around 3.5. It is reactive towards bases and can undergo hydrolysis under basic conditions.

How is 2-Methyl-2-proanyl 1H-spiro[isoquinoline-4,4'-piperidine]-2(3H)-carboxylate hydrochloride (CAS: 889139-52-0) typically synthesized?

This compound is usually synthesized via a multistep process involving the coupling of 2-methyl-2-propanol with 4-(3-bromopropyl)-4'-methylpiperidine, followed by condensation with an isatin derivative. The reaction is catalyzed by a suitable base and proceeds with high selectivity, yielding a product with a purity of over 95%.

What industries use 2-Methyl-2-proanyl 1H-spiro[isoquinoline-4,4'-piperidine]-2(3H)-carboxylate hydrochloride (CAS: 889139-52-0)?

This compound is primarily used in the pharmaceutical industry for its potential as a drug precursor. It is also of interest in the development of advanced functional materials, including polymers and sensors, due to its unique chemical structure and reactivity.

What precautions should be taken when handling 2-Methyl-2-proanyl 1H-spiro[isoquinoline-4,4'-piperidine]-2(3H)-carboxylate hydrochloride (CAS: 889139-52-0)?

Handling this compound requires the use of personal protective equipment (PPE) including gloves, goggles, and a lab coat. It should be stored in a cool, dry place away from direct sunlight and other strong oxidizing agents. Spills should be handled in a fume hood with appropriate safety measures, and proper safety data sheets (SDS) should be consulted for detailed procedures.