Phenylboronic acid 1,3-propanediol ester
Phenylboronic acid 1,3-propanediol ester (CAS: 4406-77-3) is an aryl boronate ester with the molecular formula C9H11BO2 and a molecular weight of 161.99 g/mol. This compound serves as a valuable intermediate in organic synthesis, particularly in cross-coupling reactions. Its structure, featuring a phenyl group attached to a boronate ester moiety, facilitates its use in the formation of carbon-carbon bonds, making it a key building block in the development of complex molecules for various research and industrial applications.
- IUPAC
- 2-Phenyl-1,3,2-dioxaborinane,Phenyl boronic acid glycol ester
- Synonyms
- 2-Phenyl-1,3,2-dioxaborinanePhenyl boronic acid glycol ester
Organic Synthesis Intermediate
Utilised as a key building block in Suzuki-Miyaura cross-coupling reactions for the synthesis of biaryl compounds. Its controlled reactivity allows for selective carbon-carbon bond formation in complex molecular architectures.
Pharmaceutical Research
Serves as an intermediate in the synthesis of active pharmaceutical ingredients (APIs) and drug discovery programmes. Enables the construction of novel molecular scaffolds with potential therapeutic applications.
Materials Science
Employed in the development of advanced materials, including organic light-emitting diodes (OLEDs) and conjugated polymers. Facilitates the tuning of electronic and optical properties through precise molecular design.
Agrochemical Development
Acts as a precursor in the synthesis of novel agrochemicals, contributing to the development of crop protection agents. Aids in creating compounds with specific biological activities.
| Molecular weight | 161.99 |
|---|---|
| Empirical formula | C9H11BO2 |
| Assay | 99% |
| Boiling point | 106 °C/2 mmHg(lit.) |
| Density | 1.077 g/mL at 25 °C(lit.) |
| Refractive index | n20/D 1.528(lit.) |
Hazard statements
- H315Causes skin irritation
- H319Causes serious eye irritation
- H335May cause respiratory irritation
Precautionary statements
- P261Avoid breathing dust, fume, gas or vapours
- P305IF IN EYES
| Protective equipment | dust mask type N95 (US), Eyeshields, Gloves |
|---|---|
| Flash point | 113 °C / 235.4 °F |
| Water hazard class (WGK, DE) | 3 |
| Hazard codes (EU) | Xi |
| Risk statements (R) | 36/37/38 |
| Safety statements (S) | 26-37/39 |
Hazard information is provided for guidance. Always consult the product Safety Data Sheet (SDS), available on request, before handling.
Documentation
Every batch ships with a Certificate of Analysis covering assay, identity and purity; the grade is confirmed against your enquiry. Safety Data Sheets and technical data sheets are available on request.
Supply & logistics
Samples for technical evaluation; bulk MOQ by grade and packaging. In-stock material ships in 7–10 working days, worldwide, with full export documentation.
What is Phenylboronic acid 1,3-propanediol ester used for?
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Phenylboronic acid 1,3-propanediol ester (CAS: 4406-77-3) is primarily used as an intermediate in organic synthesis, particularly in cross-coupling reactions like the Suzuki-Miyaura coupling. It is also employed in pharmaceutical research, materials science, and agrochemical development for constructing complex molecules.
What is the CAS number and formula for Phenylboronic acid 1,3-propanediol ester?
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The CAS number for Phenylboronic acid 1,3-propanediol ester is 4406-77-3, and its empirical formula is C9H11BO2.
What grade and purity does Tech Serve Solutions supply?
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Tech Serve Solutions supplies Phenylboronic acid 1,3-propanediol ester with an assay of 99%. We do not represent this product as USP, BP, EP, or any other pharmacopoeia grade unless explicitly stated.
How should Phenylboronic acid 1,3-propanediol ester be handled safely?
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Phenylboronic acid 1,3-propanediol ester is a Warning compound (GHS07) and may cause skin irritation (H315), eye irritation (H319), and respiratory irritation (H335). Appropriate personal protective equipment, including a dust mask type N95 (US), eyeshields, and gloves, should be used. Ensure adequate ventilation and avoid inhalation of dust.
Is Phenylboronic acid 1,3-propanediol ester a controlled substance?
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The provided data does not indicate that Phenylboronic acid 1,3-propanediol ester is a controlled substance.
How is this chemical exported and shipped?
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Tech Serve Solutions is a specialist global supplier and exporter of fine chemicals. Phenylboronic acid 1,3-propanediol ester is carefully packed and exported in compliance with international shipping regulations for chemical substances.
How can I request a quote or sample?
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To request a quote or a sample of Phenylboronic acid 1,3-propanediol ester, please contact our sales team through the TSS website or by calling our customer service line. Our team will be happy to assist you with your specific requirements.
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