Direct from our Shijiazhuang manufacturing facilities: verified batch chromatograms, hermetic packing, and validated overseas cold-chain or ambient express dispatch.
Authored by Hebei Miaoou Technology Co., Ltd. (Fine Chemical Synthetic Intermediates Engineering Division, Shijiazhuang, Hebei). Establishing empirical benchmarks for pharmaceutical fine chemical buyers, contract manufacturing organizations (CMOs), and global laboratory procurement officers.
CAS 718-08-1, chemically designated as Ethyl 3-oxo-4-phenylbutanoate (synonymous with Ethyl 3-oxo-4-phenylbutyrate, Ethyl phenylacetoacetate, and Benzenebutanoic acid β-oxo- ethyl ester; Molecular Formula: C12H14O3; Molecular Weight: 206.24 g/mol), is a critical β-keto ester building block in contemporary organic chemistry. The dual electrophilic carbonyl functionalities coupled with the hyper-reactive α-methylene bridge positioned between the ester carbonyl and the phenyl-substituted keto group establish this molecule as an exceptionally versatile synthon.
In downstream synthetic methodology, CAS 718-08-1 serves as an indispensable raw material for regioselective cyclization, asymmetric enantioselective hydrogenation, Michael additions, and decarboxylative condensations. Its primary commercial demand stems from its status as a vital key starting material (KSM) and penultimate intermediate for advanced pharmaceuticals—most notably in the manufacturing cascades of statin therapeutics, heterocyclic cardiovascular active agents, substituted pyrazoles, pyrroles, quinolones, and proprietary agrochemical fungicidal agents.
As an industry-leading fine chemicals producer headquartered in Shijiazhuang, Hebei Province, Hebei Miaoou Technology Co., Ltd. operates dedicated, automated continuous-flow reactors and fractional vacuum distillation columns. We guarantee ultra-low residual benzyl chloride, zero heavy metal cross-contamination, and strict isomer purity conforming to ICH Q3A/B regulatory thresholds for our multinational partners.
Every commercial batch produced by Miaoou Technology is subjected to full chromatographic screening (GC-FID, HPLC-DAD, and LC-MS/MS) prior to release.
| Analytical Parameter | Acceptance Criteria (Factory Release) | Test Methodology | Commercial Relevance |
|---|---|---|---|
| CAS Number | 718-08-1 | Compound Nomenclature Registry | International Customs Identifier |
| IUPAC Chemical Name | Ethyl 3-oxo-4-phenylbutanoate | Systematic Chemical Index | Standard Monograph Filing |
| Molecular Formula & Weight | C12H14O3 | 206.24 g/mol | High-Res MS Confirmation | Stoichiometric Precision |
| Physical Appearance | Colorless to pale yellow transparent oily liquid | Visual / Photometric Inspection | Absence of polymeric oxidation tar |
| Chemical Purity (Assay) | ≥ 98.5% (Standard) / ≥ 99.2% (Pharma Grade) | GC-FID (Area Normalization) | Direct yield efficacy in API synthesis |
| Boiling Point | 265.0 ± 20.0 °C at 760 mmHg (125-128 °C / 5 mmHg) | Precision Vacuum Micro-Distillation | Thermodynamic isolation benchmark |
| Refractive Index (n20/D) | 1.5100 – 1.5180 | Abbe Refractometry @ 20°C | Rapid in-process quality control (IPC) |
| Density | 1.102 ± 0.06 g/cm³ at 25 °C | Pycnometer / Oscillating U-tube | Volumetric metering accuracy |
| Moisture Content (Karl Fischer) | ≤ 0.20% (w/w) | Coulometric Karl Fischer Titration | Prevents ester hydrolysis in moisture-free reactions |
| Residual Solvents | Meets ICH Q3C Guidelines (Ethanol ≤ 0.5%, Toluene ≤ 890 ppm) | Headspace Gas Chromatography (HS-GC) | Regulatory dossier registration |
| Heavy Metals (Pb, Cd, As, Hg) | ≤ 10 ppm Total (≤ 1 ppm individual) | ICP-MS Inductively Coupled Plasma | High-compliance active pharmaceutical ingredient safety |
Understanding the fundamental raw material supply chains, economic scale, and technological infrastructure that position Hebei as the primary international center for fine chemical synthesis.
The cost and yield of Ethyl 3-oxo-4-phenylbutanoate are tightly bounded by upstream chemical precursors: Phenylacetic Acid (PAA), Diethyl Malonate (DEM), and Meldrum's Acid derivatives.
Moving beyond antiquated batch kettles, Miaoou utilizes advanced micro-reaction continuous engineering for C-acylation and esterification.
Modern chemical procurement hinges on factory longevity and regulatory immunity from abrupt environmental shutdown mandates.
A technical examination of how pharmaceutical innovators and agrochemical producers utilize Ethyl 3-oxo-4-phenylbutanoate across critical commercial synthetic steps.
In cardiovascular pharmacology, the chiral β-hydroxy ester motif is ubiquitous. CAS 718-08-1 undergoes asymmetric catalytic reduction utilizing ruthenium or iridium chiral bisphosphine complexes (e.g., Ru-BINAP) to yield optical (R) or (S) ethyl 3-hydroxy-4-phenylbutanoate with enantiomeric excess exceeding 99.5% ee.
Key Value: Enables stereospecific installation of chiral pharmacophore centers without laborious enzymatic resolution.
Condensation of CAS 718-08-1 with substituted hydrazines or amidines provides rapid entry into multi-substituted pyrazolin-5-ones and pyrrole derivatives. These nitrogenous heterocycles represent core scaffolds in selective COX-2 inhibitors, novel kinase inhibitors, and CNS-active pharmaceutical research.
Key Value: High regiochemical selectivity in cyclization prevents off-target isomeric impurities in final drug formulations.
Beyond active therapeutics, the benzyl-keto-ester framework is an essential precursor for strobilurin-class agricultural fungicides and specialty macrocyclic aroma compounds. The sweet, floral, and honey-like balsamic organoleptic undertones of purified derivatives make CAS 718-08-1 a building block for customized fragrance fixatives.
Key Value: Low odor-impurity threshold ensured through molecular thin-film evaporation.
A rigorous, audit-ready operational framework delivering complete traceability from raw chemical procurement to hazardous goods international clearance.
Incoming Phenylacetic Acid and activating coupling agents are screened via HPLC & ICP-MS to eliminate trace arsenic, chlorides, and sulfur precursors.
Micro-channel flow reactors maintain exact stoichiometry and isothermal equilibrium, generating crude β-keto esters with >94% conversion efficiency.
Multi-stage structured packing columns separate volatile ester heads and heavy tar residues at <5 mbar, delivering crystal-clear transparent liquid.
Release assay verification using GC-MS and quantitative NMR. Every drum is indexed with a verifiable QR code linking directly to batch chromatographic files.
Packed under dry nitrogen blanket in UN-rated 200kg fluorinated HDPE drums or 1000kg IBC totes, accompanied by compliant DGD, MSDS, and Customs Declarations.
In the post-pandemic fine chemical landscape, tier-1 European, Indian, and American buyers utilize a comprehensive risk-weighted matrix to qualify Chinese synthetic partners.
Regulatory authorities (US FDA, EMA, PMDA) enforce strict limits on unspecified impurities in API intermediates (≤0.10%).
Auditor Benchmark: Suppliers must demonstrate baseline separation between CAS 718-08-1 and positional isomers (such as Ethyl 2-oxo-4-phenylbutanoate or alkylated phenylacetic esters). Miaoou provides complete LC-MS fragmentation spectra identifying all peaks above 0.05%.
Condensations involving acyl chlorides and malonates carry sudden gas evolution (CO2, HCl) and heat accumulation hazards.
Auditor Benchmark: Advanced buyers inspect RC1e reaction calorimetry and RC-DSC thermal decomposition curves. Miaoou conducts continuous process hazard analyses (PHA) ensuring zero unvented gas build-up and negligible thermal risks during scaled multi-ton runs.
Fluctuating oceanic container availability and maritime route bottlenecks require agile shipping logistics.
Auditor Benchmark: Ability to service multiple multimodal export channels: air express (samples and pilot quantities), Shanghai/Tianjin sea container freight (FCL/LCL), and China-Europe Railway Express (direct inland delivery within 14–18 days).
Actionable answers addressing chemistry parameters, sample validation, lead times, and customs clearance protocols.
Our commercial factory release standard for Ethyl 3-oxo-4-phenylbutanoate is ≥ 98.5% by GC-FID area normalization for technical grade, and ≥ 99.2% (with no single unknown impurity exceeding 0.10%) for our specialized Pharmaceutical Intermediate Grade. Every shipment is accompanied by a batch-specific Certificate of Analysis (COA), GC/HPLC chromatograms, and 1H-NMR spectra upon request.
Ethyl 3-oxo-4-phenylbutanoate is susceptible to slow ester hydrolysis and decarboxylation if exposed to moisture, elevated temperatures, or acidic residues. We package the purified product in nitrogen-purged, UV-opaque, fluorinated high-density polyethylene (HDPE) drums or epoxy-lined steel drums hermetically sealed with tamper-evident caps. For trans-equatorial maritime shipping, desiccant blankets and thermal insulated container linings are utilized.
Yes. We routinely supply qualified laboratories, universities, and pharmaceutical R&D centers with pilot evaluation samples ranging from 100 grams to 1 kilogram. Pilot samples are taken directly from actual commercial production batches so that chromatographic behavior, physical viscosity, and reactivity exactly match subsequent multi-ton commercial deliveries.
Our dedicated foreign trade compliance department prepares complete customs packages: Globally Harmonized System (GHS) compliant Safety Data Sheets (SDS in English, Spanish, German, French, or Japanese), commercial invoices, verified packing lists, Certificates of Origin (CO / Form E / Form A), and technical declaration letters confirming non-controlled substance status where applicable under international conventions.
For standard inventory orders (up to 2,000 kg), goods are dispatched from our Shijiazhuang central warehouse within 48 to 72 hours following commercial order confirmation. For full container orders (15 to 20 metric tons), typical production and testing turnaround is 7 to 12 working days, ensuring fresh fractional distillation and minimum storage shelf-life impact.
Explore our complete export series manufactured under stringent laboratory oversight, custom vial packing, and global temperature-controlled logistics.
