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Purity: ≥98.0%
Appearance: Colorless to light‑yellow transparent liquid
Product Manager Email: emma@coreychem.com
| Item | Details |
|---|---|
| Product name | Methyl 7‑bromoheptanoate |
| Synonym | 7‑Bromoheptanoic acid methyl ester; Heptanoic acid,7‑bromo‑,methyl ester |
| CAS NO. | 54049‑24‑0 |
| Appearance | Colorless to light‑yellow transparent liquid |
| Purity | ≥98% (GC) |
| MF | C₈H₁₅BrO₂ |
| MW | 223.11 |
| Refractive index | n₂₀/D 1.462 |
| Density | 1.257 g/cm³ (25 °C) |
| Boiling point | 112 °C /5 Torr; 229.2 °C /760 mmHg |
| Flash point | 118.2 °C |
| Solubility | Soluble in ethanol, ether, DCM and most organic solvents; practically insoluble in water |
| Related categories | Alkyl bromides; Esters; Aliphatic building‑blocks; Synthetic intermediates |
| Transport Information | General chemical goods, irritant |
| HS Code | 2915900090 |
| MDL No. | MFCD02258672 |
| Product Manager Email | emma@coreychem.com |
Frequently Asked Questions
Question 1: What is Methyl 7‑bromoheptanoate (CAS 54049‑24‑0)?
Answer: Methyl 7‑bromoheptanoate is a difunctional aliphatic building‑block. It carries a terminal primary bromine and a methyl ester group on both ends of linear seven‑carbon alkyl chain. Two functional groups can undergo independent chemical transformation. It is widely used for carbon‑chain extension and the preparation of long‑chain derivatives in fine‑chemical and pharmaceutical lab synthesis.
Question 2: What are its key physical‑chemical properties and handling tips?
Answer: It is a colorless‑to‑pale‑yellow oily liquid. The terminal C‑Br bond is sensitive to high temperature, strong alkali and moisture. Under heated alkaline environment, side‑reactions such as hydrolysis, elimination or intramolecular cyclization may occur. Lab operations require good ventilation; avoid direct skin or eye contact, wear gloves and goggles during manipulation.
Question 3: What fields can Methyl 7‑bromoheptanoate be applied in?
Answer: Mainly applied in pharmaceutical intermediate synthesis, organic fragment modification, compound library construction and polymer‑material research. Its bifunctional structure can realize nucleophilic substitution at bromine end and ester hydrolysis / amidation at carboxylate end, which can produce various long‑chain intermediates with defined carbon‑chain length for drug lead‑compound screening and material monomer preparation.
Question 4: What special points should we pay attention to during transportation and emergency disposal for leakage or body contact?
Answer: Transport as general irritant chemical, keep containers upright, avoid sunshine and high‑temperature stacking. In case of liquid leakage, absorb with inert sand or absorbent cloth, collect waste liquid for professional treatment, do not pour into sewer. If splashed onto skin or eyes, flush with plenty of running water for several minutes; seek medical support if persistent irritation occurs.
Question 5: What reagents and reaction conditions can convert it into downstream products?
Answer: Its terminal bromine can react with amines, thiols or enolates under mild basic conditions via SN2 substitution to get amine‑substituted or sulfur‑linked ester derivatives. Its methyl ester group can be hydrolyzed under acid‑base catalysis to obtain 7‑bromoheptanoic acid. It is better to adopt moderate temperature; harsh high‑temperature strong‑base conditions are not recommended to prevent bromine elimination by‑products.
Application 1: What role does it play within pharmaceutical intermediate synthesis?
Answer: It serves as a carbon‑chain extender fragment for small‑molecule drug intermediates. Chemists introduce a seven‑carbon linear spacer onto target molecules by nucleophilic substitution of bromine site. After ester group further hydrolysis or amidation, it produces long‑chain drug fragments used in screening for anti‑inflammatory, anti‑tumor and lipid‑regulating candidate molecules, adjusting molecule lipophilicity and spatial distance between pharmacophores.
Application 2: What function does it undertake in general organic synthesis?
Answer: It is a typical orthogonal difunctional synthetic building‑block. Two reactive sites can be modified step‑by‑step: we can first complete substitution reaction on bromine atom, and then transform methyl‑ester; alternatively, ester can be modified first without destroying alkyl bromide under appropriate condition. This sequential‑modification characteristic simplifies the synthesis of asymmetric long‑chain aliphatic compounds, reducing multi‑step synthetic workload.
Application 3: Why can derivatives synthesized from this compound bring better molecular property adjustment?
Answer: The fixed‑length seven‑carbon alkyl chain provides moderate lipophilic spacer unit. When inserted between two pharmacophore groups, it can tune molecular spatial distance, lipophilicity and cell‑membrane permeability. Compared with short‑chain homologues, this medium‑long aliphatic segment often optimizes binding performance to biological targets, which is very valuable in early‑stage structure‑activity‑relationship exploration.
Application 4: How is it used for polymer and functional‑material‑related research?
Answer: After ester hydrolysis or further modification, it can produce bromo‑alkyl carboxylic‑acid monomers for polyamide or polyester material research. The terminal bromine can also be used as initiating site for further graft‑modification of polymer chains. It is mostly applied in lab‑scale new‑material exploratory research rather than large‑volume bulk polymer industrial production.
Application 5: Are its application fields limited only to medicine and classic organic synthesis?
Answer: No. It can also be used to construct aliphatic fragments for agro‑chemical lead‑compound libraries, preparing long‑chain substituted pesticide candidate molecules for fungicidal or insecticidal activity evaluation. In addition, it is applied for the synthesis of surfactant precursors and analytical‑chemistry reference‑substance preparation in fine‑chemical research projects.
100g/bottle;
1kg/bottle;
25kg/drum;
Packaging according to customer requirements.
Product actual photos：
Storage & Transportation Requirements:
1. Store in tightly sealed container under cool, dry and ventilated environment; recommended long‑term storage temperature 2‑8 °C, avoid direct sunlight to slow down decomposition and eliminate elimination impurities.
2. Keep far away from strong‑base, strong‑oxidizer storage zones.
3. During transportation, avoid violent collision and high‑temperature exposure; do not mix with strong‑alkaline goods.
4. Shelf‑life under proper sealed cold‑storage condition: 12 months. Re‑inspect purity before use once stored for long time.
For further information about the product, please contact:
Product Manager Email: emma@coreychem.com
