Description
1-[3-(2-Methoxy-5-nitrophenoxy)propyl]-4-methylpiperazine (CAS No. 846023-54-9) is a high-purity synthetic organic compound with the molecular formula C15H23N3O4. This specialized chemical features a methoxynitrophenoxy moiety linked to a methylpiperazine group via a propyl chain, making it a valuable intermediate for pharmaceutical and biochemical research. With a molecular weight of 309.36 g/mol, it is supplied as a crystalline solid with >95% purity (HPLC). Ideal for medicinal chemistry applications, this compound is rigorously tested for consistency, stability, and low trace metal content. Store under inert conditions at 2-8°C for optimal shelf life.
Properties
- CAS Number: 846023-54-9
- Complexity: 342
- IUPAC Name: 1-[3-(2-methoxy-5-nitro-phenoxy)propyl]-4-methyl-piperazine
- InChI: InChI=1S/C15H23N3O4/c1-16-7-9-17(10-8-16)6-3-11-22-15-12-13(18(19)20)4-5-14(15)21-2/h4-5,12H,3,6-11H2,1-2H3
- InChI Key: GIODEEXALCHTQP-UHFFFAOYSA-N
- Exact Mass: 309.16885622
- Molecular Formula: C15H23N3O4
- Molecular Weight: 309.36
- SMILES: CN1CCN(CC1)CCCOC2=C(C=CC(=C2)[N+](=O)[O-])OC
- Topological: 70.8
- Monoisotopic Mass: 309.16885622
- Synonyms: 846023-54-9, 1-[3-(2-METHOXY-5-NITROPHENOXY)PROPYL]-4-METHYLPIPERAZINE, 1-(3-(2-methoxy-5-nitrophenoxy)propyl)-4-methylpiperazine, EC 700-445-7, DTXSID60676922, DTXCID60627671, 700-445-7, Piperazine, 1-[3-(2-methoxy-5-nitrophenoxy)propyl]-4-methyl-, SCHEMBL5105861, GIODEEXALCHTQP-UHFFFAOYSA-N, AKOS015917851, DB-345202, NS00005104, 1-[3-(2-Methoxy-5-nitro-phenoxy)-propyl]-4-methyl-piperazine
Application
This compound serves as a key intermediate in the synthesis of novel pharmaceutical agents, particularly in developing serotonin receptor modulators. Researchers utilize it in medicinal chemistry for structure-activity relationship (SAR) studies due to its unique nitrophenoxy and piperazine pharmacophores. It may also find application in photoaffinity labeling experiments owing to its nitroaromatic group.
Safety and Hazards
GHS Hazard Statements
- H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
- H411 (100%): Toxic to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]
Precautionary Statements
- P264, P270, P273, P301+P317, P330, P391, and P501
Hazard Classes and Categories
- Acute Tox. 4 (100%)
- Aquatic Chronic 2 (100%)
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