Buy 4‑MPD Crystals Online — Analytical Reference Information
Buy 4‑MPD crystals (4‑methyl‑α‑pyrrolidinopropiophenone) is a synthetic cathinone derivative containing both aryl and pyrrolidine functionalities, structurally related to compounds such as α‑PVP and MPHP.
Its relevance lies in analytical toxicology, compound classification, and mass‑spectral fingerprinting studies of substituted pyrrolidinophenones.
Organic / Inorganic Chemistry
| Property | Specification |
|---|---|
| IUPAC Name | 1‑(4‑methylphenyl)‑2‑(pyrrolidin‑1‑yl)‑propan‑1‑one |
| Formula | C₁₄H₁₉NO |
| Molecular Weight | 217.30 g · mol⁻¹ |
| Functional Groups | Ketone (–C=O–), pyrrolidine ring (tertiary amine), alkyl aromatic (4‑methylphenyl). |
| Chemical Class | Substituted pyrrolidinophenones / synthetic cathinones. |
| Physical State | Crystalline or powder; hydrochloride salt common for reference samples. |
| Melting Point (HCl) | ≈ 146 – 149 °C |
| Solubility | Freely in ethanol, acetonitrile, methanol; partially aqueous. |
| Stability | Stable when dry and protected from light; sensitive to acidic hydrolysis. |
Chemical Biology
- Mechanism: Indirect monoamine releasing agent and reuptake inhibitor for dopamine and norepinephrine; negligible serotonergic activity.
- SAR Observation: The para‑methyl group increases hydrophobic binding at DAT/NET binding sites relative to α‑PVP.
- Metabolic Pathways: reductive N‑dealkylation → 4‑methylpropiophenone; oxidation to 4‑methylbenzoic acid derivatives; phase‑II conjugation (glucuronidation).
- In Vitro Data: Demonstrates stimulant effects through dopaminergic pathways; no approved medical use.
- Laboratory Use: Standard compound for tox screening method validation.
Computational Chemistry
| Parameter | Value / Model (B3LYP/6‑31G*) |
|---|---|
| Dipole Moment | 3.1 Debye |
| HOMO–LUMO Gap | 5.4 eV |
| Predicted log P | 2.7 – 3.0 |
| pKa (N) | 8.9 |
| Topological Polar Surface Area | 26 Ų |
| Rotatable Bonds | 4 |
| Docking Energy (hDAT) | ≈ –9.0 kcal · mol⁻¹ |
| Interpretation: Planarity and lipophilic aromatic ring increase membrane permeability and transporter affinity. |
Environmental Chemistry
- Hydrolysis: Slow at neutral pH but accelerated in acidic conditions.
- Photodegradation: Under UV light → forms 4‑methylpropiophenone and pyrrolidinone.
- Soil Interaction: Adsorbs to organic components due to moderate hydrophobic character.
- Biodegradation: Limited aerobic biodegradability; half‑life ~ weeks in surface waters.
- Ecotoxicity: Potential moderate bioaccumulation (log Kow ≈ 2.9).
- Waste Treatment: Complete destruction via controlled high‑temperature incineration (> 1100 °C).
Laboratory Equipment
| Instrument | Analytical Use |
|---|---|
| GC‑MS (EI) | M⁺ = 217 m/z; primary fragments at 104, 84, 58 m/z. |
| LC‑MS/MS | [M+H]⁺ = 218.159 m/z; fragment ion 84 m/z (pyrrolidinium). |
| FTIR | C=O stretch 1695 cm⁻¹, C–N stretch 1210 cm⁻¹, C–H (Ar) 2920 cm⁻¹. |
| ¹H NMR (400 MHz) | δ 7.2 (Ar H), 3.1 (CH₂), 2.8 (CH), 2.3 (Ar‑CH₃), 1.9 (pyrrolidine). |
| Storage Recommendations | Airtight amber vials below –20 °C in controlled access storage. |
Consumables
- LC‑grade solvents: methanol, acetonitrile, formic acid solutions.
- 0.22 µm PTFE filters for sample prep.
- Calibrated pipette tips and autosampler vials (amber glass).
- Nitrile gloves, FEP lab coats, face mask, safety goggles.
- Reference standards for instrument tuning (under licence).
Regulation & Safety
| Category | Specification |
|---|---|
| Controlled Status | Schedule I (Analog Act, US); Class B/A (UK Psychoactive Substances Act); Listed in EU and AU control schedules. |
| Permitted Use | Licensed analytical research, forensic toxicology, or training only. |
| GHS Hazard Statements | H301 – Toxic if swallowed; H331 – Toxic if inhaled; H370 – Causes damage to organs. |
| Pictograms | ☠️ ⚠️ 🌡️ |
| Precautions | Use in fume cupboard, avoid dust inhalation, handle under controlled conditions. |
| Spill Treatment | Absorb with activated carbon and dispose as hazardous waste. |
| Disposal | Authorized hazardous‑waste contractor for thermal destruction. |
| Medical Response | If exposed, seek emergency care immediately; show label or safety data. |
Chemical Informatics
| Identifier | Detail |
|---|---|
| SMILES | CC(C(=O)C1=CC=C(C)C=C1)N2CCCC2 |
| InChIKey | CNESCCSBIGRMGG‑UFHFVOQCSA‑N |
| CAS Number | 1225617‑18‑4 (report for forensic catalog classification) |
| Molecular Weight | 217.30 g · mol⁻¹ |
| Topological Polar Surface Area | 26 Ų |
| Rotatable Bonds | 4 |
| log P | ≈ 2.9 (predicted) |
| Applications | Spectral library training, QSAR dataset development, controlled substance screening algorithms. |
Regulatory & Ethical Notice
⚠️ Controlled Substance Disclaimer
4‑MPD (4‑methyl‑α‑pyrrolidinopropiophenone) is a synthetic stimulant analogue regulated under international drug control conventions.
Possession, synthesis, or distribution without authorization is illegal.
The data provided here exist solely for scientific education, analytical chemistry, and regulatory compliance — not for marketing or use in humans.
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