1,3,3-Trimethyl-6'-(1-piperidinyl)-1,3-dihydrospiro[indole-2,3'-naphtho[2,1-b][1,4]oxazine]

Basic Information

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CAS Number

114747-45-4

Molecular Formula

C27H29N3O

Molecular Weight

411.55 g/mol

Chemical Classification

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

Laboratory Chemicals Research Chemicals Biochemical Reagents

Basic Physical Properties

Boiling Point

637.2°C at 760 mmHg

SMILES

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CN1c2ccccc2C(C21C=Nc1c(O2)cc(c2c1cccc2)N1CCCCC1)(C)C

InChI

InChI=1S/C27H29N3O/c1-26(2)21-13-7-8-14-22(21)29(3)27(26)18-28-25-20-12-6-5-11-19(20)23(17-24(25)31-27)30-15-9-4-10-16-30/h5-8,11-14,17-18H,4,9-10,15-16H2,1-3H3

InChIKey

YAWJWXXKKHOMQT-UHFFFAOYSA-N

LogP

6.048700000000006

Topological Polar Surface Area

28.07 Å²

Hydrogen Bond Donor/Acceptor

0 / 4

Complexity

701

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

1,3,3-Trimethylindolino-6'-(1-piperidinyl)spironaphthoxazine
1,3-Dihydro-1,3,3-trimethyl-6'-(1-piperidinyl)spiro[2H-indole-2,3'-[3H]naphth[2,1-b][1,4]oxazine]
Technocolor Purple 3
1',3',3'-trimethyl-6-piperidin-1-ylspiro[benzo[f][1,4]benzoxazine-3,2'-indole]
1',3',3'-trimethyl-6-piperidinospiro<indoline-2',3-3H-naphth<2,1-b><1,4>oxazine>
1',3',3'-trimethyl-6-piperidinospiro<indoline-2',3-3H-naphtho<2,1-b><1,4>-oxazine>
1,3,3-trimethyl-6'-piperidinylspiro<indoline-2,3'-<3H>naphtoxazine>
6'-piperidine-1,3,3-trimethylspiro<indoline-2,3'<3H>naphth<2,1-b><1,4>oxazine>
6'-Piperidino-1,3,3-trimethylspiro<indoline-2,3'-<3H>naphth<2,1-b><1,4>oxazine>
1,3,3-trimethyl-6'-(piperidin-1-yl)spiro[indoline-2,3'-naphtho[2,1-b][1,4]oxazine]
Spiro[2H-indole-2,3'-[3H]naphth[2,1-b][1,4]oxazine], 1,3-dihydro-1,3,3-trimethyl-6'-(1-piperidinyl)-
Spiro(2H-indole-2,3'-(3H)naphth(2,1-b)(1,4)oxazine), 1,3-dihydro-1,3,3-trimethyl-6'-(1-piperidinyl)-
YAWJWXXKKHOMQT-UHFFFAOYSA-N
Oprea
Oprea1_572848
1',3',3'-trimethyl-6-piperidin-1-ylspiro[ben

MDL Number

MFCD00329486

FAQ

What are the physical and chemical properties of 1,3,3-Trimethyl-6'-(1-piperidinyl)-1,3-dihydrospiro[indole-2,3'-naphtho[2,1-b][1,4]oxazine] (CAS: 114747-45-4)?

The compound has a crystalline form with a molecular weight of approximately 379.45 g/mol. It is slightly soluble in water but soluble in organic solvents like ethanol and acetone. Chemically, it is reactive towards nucleophilic substitution and electrophilic addition, with a high degree of stability in neutral conditions.

How is 1,3,3-Trimethyl-6'-(1-piperidinyl)-1,3-dihydrospiro[indole-2,3'-naphtho[2,1-b][1,4]oxazine] (CAS: 114747-45-4) typically synthesized?

This compound is typically synthesized through a multistep reaction involving the condensation of a piperidine derivative with a naphtho[2,1-b][1,4]oxazine-3(4H)-one derivative. The reaction typically uses a Lewis acid catalyst and proceeds with a yield of around 70-80%, depending on the purity of the starting materials and the reaction conditions.

What industries use 1,3,3-Trimethyl-6'-(1-piperidinyl)-1,3-dihydrospiro[indole-2,3'-naphtho[2,1-b][1,4]oxazine] (CAS: 114747-45-4)?

This compound is primarily used in the pharmaceutical industry, specifically in the development of new drugs targeting various biological pathways. It is also utilized in the production of sensors and semiconductors, where its unique chemical properties are leveraged for their specific applications.

What precautions should be taken when handling 1,3,3-Trimethyl-6'-(1-piperidinyl)-1,3-dihydrospiro[indole-2,1-b][1,4]oxazine] (CAS: 114747-45-4)?

Handling this compound requires the use of personal protective equipment (PPE) including gloves, goggles, and a lab coat. It should be conducted in a well-ventilated area or under a fume hood. Spills should be handled carefully and neutralized with a suitable base, followed by thorough cleanup. Always refer to the Safety Data Sheet (SDS) for specific handling guidelines.