CAS 6121-77-3 99% Purity Methyl 2-heptyl-4,6-dihydroxybenzoate

Structure​​:

Benzoate Ester Core:​​ The molecule is built on a benzene ring.

​Functional Groups:​

1. Two Hydroxyl (-OH) Groups:​​ Located at the ​meta​-positions relative to each other (positions 4 and 6). This makes it a resorcinol derivative(a 1,3-dihydroxybenzene).
2. Ester Group (-COOCH₃):​​ A methyl ester attached to the ring at position 1 (the carbon attached to the ester is considered carbon 1).
3. Long Alkyl Chain:​​ A heptyl group (-C₇H₁₅) attached directly to the aromatic ring at position 2 (ortho to the ester group).​

This combination of a polar, hydrogen-bonding dihydroxy aromatic system and a long, non-polar hydrocarbon chain gives the molecule interesting properties, such as potential surfactant or amphiphilic character.

Physical Characteristics​​:

Appearance​​: Off-white to faint pink solid 

Boiling Point​​: 431.8±30.0 °C(Predicted)

​​Density​​:1.111±0.06 g/cm3(Predicted)

Solubility:​​

Soluble in​ organic solvents like methanol, ethanol, ethyl acetate, acetone, chloroform, and dimethyl sulfoxide (DMSO).

Less soluble in​ non-polar solvents like hexane, though the heptyl chain will improve solubility compared to a simpler resorcinol.

Practically insoluble in​ water due to the large hydrophobic alkyl chain.

Chemical Behavior:​​ The hydroxyl groups are phenolic, meaning they are weakly acidic. They can participate in hydrogen bonding and can be deprotonated by strong bases. The ester group is susceptible to hydrolysis under acidic or basic conditions.

Q1: What is the key application of this compound?​​

​A:​​ It serves as a ​critical synthon in cannabinoid analog synthesis, especially for developing compounds with modified alkyl chain structures. Its heptyl-substituted resorcinol core is ideal for structure-activity relationship (SAR) studies targeting cannabinoid receptors.

​Q2: What purity do you offer, and how is it validated?​​

​A:​​ We provide ​≥98% HPLC-grade purity. Every batch includes a ​Certificate of Analysis (CoA)​​ with validation via ​NMR spectroscopy and HPLC chromatography​ to confirm identity, purity, and absence of critical impurities.

​Q3: Is this compound suitable for pharmaceutical R&D?​​

​A:​​ Yes. As a ​pharmaceutical building block, it meets stringent requirements for synthesizing bioactive molecules. Its structural versatility supports drug discovery pipelines in neurology and inflammation research.

​Q4: What packaging sizes and lead times are available?​​

​A:​​  •R&D samples:​​ 100 mg, 500 mg, 1 g (shipped in ​1–2 weeks)

     •Bulk quantities:​​ 10 g–1 kg (3–5 weeks​ for custom synthesis)

Note: Larger volumes require advance consultation for scalable synthesis.

​Q5: Can you synthesize analogs with different chain lengths?​​

​A:​​ Absolutely. We offer ​custom synthesis​ for analogs (e.g., C5–C12 alkyl chains). Submit structural requirements for feasibility assessment and project scoping.

​Q6: Is this compound DEA-controlled or regulated?​​

​A:​​ ​No regulatory restrictions apply​ to this intermediate. It is ​exempt​ from controlled substance regulations (non-psychoactive, non-scheduled). However, confirm compliance with yourjurisdiction’s requirements.

​Q7: How should it be stored?​​

​A:​​ Store ​sealed under inert gas (Ar/N₂) at –20°C, protected from light and moisture. Use within ​6 months​ for optimal stability. Material may discolor if exposed to air.