Buy 4‑Me‑TMP 20mg Pellets Online – (4‑Methylmethylphenidate) — Analytical Reference Standard
Buy 4‑Me‑TMP 20mg pellets (4‑Methylmethylphenidate) is a p‑methyl‑substituted derivative of methylphenidate, structurally related to the psychostimulant class of piperidine esters.
It is utilized in bioanalytical and metabolomic laboratories as a reference analyte to examine SAR (structure–activity relationship) effects of para‑substitution on dopamine and norepinephrine transporter interactions.
Research applications focus on:
- Comparative binding affinity studies.
- Pharmacokinetic modeling.
- LC–MS reference spectrum calibration.
Organic / Inorganic Chemistry – Buy 4‑Me‑TMP 20mg Pellets
| Property | Specification |
|---|---|
| IUPAC Name | Methyl 2‑(4‑methylphenyl)‑2‑(piperidin‑2‑yl)acetate |
| Molecular Formula | C₁₅H₂₁NO₂ |
| Molecular Weight | 247.33 g · mol⁻¹ |
| Functional Groups | Ester (C(=O)OCH₃), tertiary amine (piperidine nitrogen), aromatic p‑methyl substituent |
| Physical State | Crystalline solid / compressed pellet |
| Solubility | Soluble in methanol, chloroform; limited in water |
| Melting Point | ≈ 188–190 °C (HCl salt form) |
| Stability | Stable under dry, dark conditions (< 25 °C); hydrolyzed in strong acid/base. |
Chemical Biology
- Mechanism: Dopamine‑ and norepinephrine‑reuptake inhibitor (DAT/NET) similar to methylphenidate, with parasubstituent‑driven lipophilicity increase.
- SAR Notes: The 4‑methyl group modifies π‑electron distribution and slightly enhances DAT binding over unmodified methylphenidate.
- Metabolism: Ester hydrolysis → 4‑methyl‑ritalinic acid; subsequent phase II glucuronidation.
- Cytotoxicology: In‑vitro assays indicate oxidative stress at high micromolar concentrations.
- Laboratory Role: Quantitative calibration standard for LC‑MS/MS in forensic toxicology and drug‑screening protocols.
Computational Chemistry Profile
| Parameter | B3LYP/6‑31G* Data |
|---|---|
| Dipole Moment | 2.5 Debye |
| HOMO–LUMO Gap | ≈ 5.3 eV |
| Predicted log P | 2.7 – 2.9 |
| pKa (piperidine N) | 8.9 |
| Topological Polar Surface Area (TPSA) | 38 Ų |
| Rotatable Bonds | 6 |
| Docking Energy (hDAT) | ≈ –9.0 kcal · mol⁻¹ |
| Interpretation: Para‑methyl enhances lipophilicity and DAT surface interaction similar to ethylphenidate; reduced aqueous solvation favours membrane partitioning. |
Environmental Chemistry
- Hydrolysis: Slow at neutral pH; accelerated in alkaline solutions due to ester cleavage.
- Photo‑degradation: Aromatic components form p‑methylbenzoic acid under UV exposure.
- Biodegradability: Moderate; piperidine moiety resistant to microbial oxidation.
- Partition Coefficient: log K ≈ 3.0 suggesting moderate bioaccumulation potential.
- Recommended Disposal: High‑temperature incineration (> 1100 °C) by licensed chemical‑waste facility.
Laboratory Equipment
| Equipment | Analytical Purpose |
|---|---|
| LC‑MS/MS | [M+H]⁺ = 248.164 m/z (base ion fragment = 84 m/z). |
| GC‑MS (EI) | M⁺ = 247 m/z with fragments 84, 190, 119 m/z. |
| FTIR | 1735 cm⁻¹ (C=O stretch), 1100 cm⁻¹ (C–O), 2930 cm⁻¹ (CH). |
| ¹H NMR (400 MHz) | δ 7.1 (Ar H), 3.8 (OCH₃), 3.4 (piperidine CH₂), 2.3 (Ar‑CH₃). |
| Recommended Storage | –20 °C, light‑protected, sealed container within controlled‑substance locker. |
Consumables
- LC‑MS‑grade solvents (acetonitrile, methanol)
- Ammonium‑formate buffers (5 mM, pH 3.5)
- 0.22 µm PTFE filters
- Amber autosampler vials
- Cryogenic sample tubes
- PPE requirements: nitrile gloves, lab coat, eye shield; use fume hood to avoid inhalation of powder while handling pellets.
Regulation & Safety
| Classification | Information |
|---|---|
| Controlled Status | Schedule II analogue (related to methylphenidate); classified or analogue‑scheduled in most regions (US, EU, UK, AU, CA). |
| Permitted Use | Analytical and forensic research within registered facilities. |
| GHS Hazard Statements | H301 – Toxic if swallowed; H311 – Toxic in contact with skin; H370 – Causes organ damage. |
| Pictograms | ☠️ ⚠️ 🌡️ |
| Handling Precautions | Use chemical fume hood; avoid contact and dust aerosol. |
| Emergency Measures | Inhalation → fresh air; skin contact → wash with soap and water; seek medical attention. |
| Waste Management | Incorporate into hazardous organic waste stream for controlled incineration. |
Chemical Informatics
| Identifier | Value |
|---|---|
| SMILES | CC1CCN(CC1)C(C(=O)OC)C2=CC=C(C)C=C2 |
| InChIKey | BXAXSEBRZRMFQK‑UHFFFAOYSA‑N |
| Formula Mass | 247.33 g · mol⁻¹ |
| TPSA | 38 Ų |
| Rotatable Bonds | 6 |
| Predicted log P | 2.8 |
| CAS Number | — (analogue status; no independent CAS issued) |
| Database Utility | QSAR/QSPR datasets, MS spectrum libraries, molecular descriptor training for stimulant analogue modeling. |
Ethical and Legal Notice
⚠️ Controlled Substance Statement
4‑Methylmethylphenidate (4‑Me‑TMP) is a methylphenidate analogue and treated as a controlled stimulant in most countries.
Possession, manufacture, or distribution outside authorized, licensed laboratories is illegal.
The above information serves solely for chemical education, forensic research, and regulatory compliance.
This text does not promote or endorse consumption, sale, or distribution of this compound.
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