Tert-Butyl 5-Bromovalerate: Properties, Structure, and Uses

What Is Tert-Butyl 5-Bromovalerate?

Tert-Butyl 5-Bromovalerate stands out as a valuable building block in organic chemistry. This compound, with the molecular formula C9H17BrO2, features a tert-butyl ester linked to a five-carbon chain ending in a bromine atom. You will not mistake its structure: tert-butyl groups add bulk and stability, reducing unwanted side reactions. The presence of bromine creates a reactive site for chain extension or substitution. This molecule lands in research labs and specialty chemical synthesis thanks to its mix of stability and reactivity.

Physical Characteristics and Appearance

Ask any lab technician, and the first thing they want to know is the physical form. Tert-Butyl 5-Bromovalerate often appears as a colorless to pale yellow liquid, though it might solidify under cooler storage due to moderate melting points. In some manufacturing settings, it can present as crystals if carefully cooled and purified. Its density sits near 1.14 g/cm3, giving it a slightly heavier presence compared to water. Those handling it recognize a mild, sharp odor, distinct but not overpowering—something that quickly alerts you to its presence in the workspace.

Chemical Structure and Specifications

Zooming into the molecular makeup, one finds a tert-butyl ester at one end and a brominated valerate chain branching out. This structure brings together the best of two worlds: the bulk and electron-donating character of the tertiary butyl group, and the reactivity of a terminal bromine. In practice, this combination opens doors for a wide range of transformations. Analytical data, such as NMR and mass spectrometry, provide clear markers for purity and integrity. You can spot the characteristic chemical shift in proton and carbon spectra that confirm the expected structure. For those in the know, the HS Code often assigned is 2915.90, sitting under carboxylic acid derivatives. Each batch’s purity and residual solvent level mean a lot to researchers and manufacturers trying to keep their experiments and production runs on track.

Properties and Behavioral Traits

Experience in the lab quickly teaches the importance of paying attention to density, miscibility, and phase under ambient conditions. Tert-Butyl 5-Bromovalerate dissolves in a wide range of organic solvents—think ether, chloroform, acetone—while resisting solubility in water due to the hydrophobic tert-butyl and longer alkyl chain. Thermal stability makes it suitable for reactions that need heating, but one should never disregard proper ventilation and fire control since organic bromides can release toxic fumes if overheated. The liquid slowly browns if exposed to light and air over weeks, hinting at the gradual breakdown and the risky business of long-term storage in less-than-ideal conditions.

Handling, Safety, and Hazards

Anyone who has handled Tert-Butyl 5-Bromovalerate knows to use caution. Its safety data sheets point to harmful effects on skin and respiratory systems, common for alkyl bromides. Direct contact may cause irritation, and inhalation requires the use of fume hoods or respirators. Spills turn into a sticky cleanup—slippery and hard to wipe if not caught early. Accidental contact with bases or strong acids prompts decomposition, sometimes vigorously, which means glove, eye shield, and lab coat aren’t negotiable. Disposal, never a casual affair, needs adherence to local hazardous chemical regulations. Research into alternatives and safer analogs still matters, but until then, respect for the material keeps people out of the emergency room.

Raw Material Sourcing and Industrial Applications

Tert-Butyl 5-Bromovalerate starts as a specialty raw material. Its niche comes from versatility in constructing more complex molecules—pharmaceutical intermediates, agrochemicals, or new polymer types. Larger chemical plants use it in batch processes, often under inert gas protection. Smaller outfits use it for pilot-scale synthesis to create molecules for drug screening or agricultural research. Supply chains often extend across borders, with tight attention paid to quality specs, water content, and transport conditions. Cost considerations, purity demands, and lead times push procurement staff to juggle many variables. The most effective suppliers demonstrate attention to purity, certification, and reliable lead times.

Environmental and Regulatory Considerations

No conversation about chemicals stays complete without a look at the environmental angle. Releases into the environment, accidental or otherwise, lead to brominated byproducts that hang around in soil and water for long periods. Responsible facilities catch and destroy waste streams using specialized treatment systems—usually designed for halogenated organics. Regulatory frameworks differ from country to country, but most industrial regions now demand detailed tracking and reporting of hazardous chemicals. Adhering to REACH in Europe or EPA rules in the US, businesses take on extra documentation, worker training, and environmental controls. This paperwork jungle sometimes slows down innovation, though it also serves a crucial shield for workers and local communities.

Potential Solutions and Safer Practices

Focusing on improvement, the field keeps inching forward with better engineering controls, safer reaction vessels, and tighter protocols. Process chemistry teams experiment with sealed reactor systems, careful monitoring, and closed transfer lines to cut down on evaporative losses. Material scientists continue developing new analogs that keep convenience but shed some of the environmental hazard. Training programs, sometimes costly and time-consuming, prepare staff for emergencies and best practices for disposal and storage. Information-sharing platforms, such as shared chemical registries and safety databases, close knowledge gaps about suppliers, impurities, and shelf life. With every batch, facility, and team, people work to strike the right balance between chemical innovation and health, safety, and the environment.