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(Ethoxycarbonylmethyl)triphenylphosphonium bromide

CAS 1530-45-6CH3CH2OCOCH2P(C6H5)3BrChemical Synthesis

(Ethoxycarbonylmethyl)triphenylphosphonium bromide (CAS 1530-45-6) is a valuable Wittig reagent with the molecular formula CH3CH2OCOCH2P(C6H5)3Br and a molecular weight of 429.29. It serves as a key reactant in various synthetic organic chemistry applications, primarily for C-C bond formation. This compound is instrumental in olefination reactions, contributing to the synthesis of complex molecules such as tetramic acid derivatives and precursors for Bergman cyclization.

IUPAC
(Carboxymethyl)triphenylphosphonium bromide ethyl ester,NSC 60450
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(Ethoxycarbonylmethyl)triphenylphosphonium bromide (CH3CH2OCOCH2P(C6H5)3Br) — chemical structure, CAS 1530-45-6; Chemistry, fine chemical supplied by Tech Serve Solutions
C-C Bond FormationChemical SynthesisOlefinationSynthetic ReagentsWittig Reagents
01 /Applications

Wittig Olefination Reactions

Utilised as a Wittig reagent for the synthesis of tetramic acid derivatives and other unsaturated organic compounds.

Synthesis of Bergman Cyclization Precursors

Employed in the preparation of molecules that are precursors for the Bergman cyclization, a key reaction in enediyne chemistry.

Preparation of Pharmaceutical Intermediates

Used in the synthesis of precursors for PPAR agonists and benzoxaboroles with reported antimalarial activity.

Development of Protease Inhibitors

Serves as a reactant in the synthesis of Michael acceptor-based inhibitors targeting cysteine proteases.

Mechanistic Biological Studies

Applied in research for mechanistic studies, including investigations into the IspH reductase protein.

02 /Properties
Molecular weight429.29
Linear formulaCH3CH2OCOCH2P(C6H5)3Br
Assay98%
ApplicationReactant for: • Wittig olefination reactions for synthesis of tetramic acid derivatives1• Synthesis of precursors for Bergman cyclization2• Preparation of PPAR agonists derived from thalidomide-related LXR antagonists3• Synthesis of benzoxaboroles with antimalarial activity4• Michael acceptor based cysteine protease inhibitors5• Mechanistic studies of the IspH reductase protein6
Melting point145-150 °C (dec.)(lit.)
03 /Safety & handling
GHS hazard pictogram: Harmful / irritant (GHS07)
Harmful / irritant
Warning

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 equipmentdust mask type N95 (US), Eyeshields, Gloves
Water hazard class (WGK, DE)3
Hazard codes (EU)Xi
Risk statements (R)36/37/38
Safety statements (S)26-36

Hazard information is provided for guidance. Always consult the product Safety Data Sheet (SDS), available on request, before handling.

04 /Identifiers & registry
CAS number
1530-45-6
MDL number
MFCD00011835
PubChem substance
24865798
Beilstein registry
3581273
05 /Quality & supply

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.

06 /Frequently asked questions

What is (Ethoxycarbonylmethyl)triphenylphosphonium bromide used for?

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(Ethoxycarbonylmethyl)triphenylphosphonium bromide is primarily used as a Wittig reagent for olefination reactions in organic synthesis, including the preparation of tetramic acid derivatives, Bergman cyclization precursors, PPAR agonists, benzoxaboroles, and cysteine protease inhibitors.

What is the CAS number and formula for (Ethoxycarbonylmethyl)triphenylphosphonium bromide?

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The CAS number is 1530-45-6, and its linear formula is CH3CH2OCOCH2P(C6H5)3Br.

What grade and purity does Tech Serve Solutions supply?

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Tech Serve Solutions supplies (Ethoxycarbonylmethyl)triphenylphosphonium bromide with an assay of 98%. We do not represent this product as USP, BP, EP or any other pharmacopoeia grade.

How should (Ethoxycarbonylmethyl)triphenylphosphonium bromide be handled?

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This compound is classified as a Warning. It may cause skin irritation (H315), serious eye irritation (H319), and respiratory irritation (H335). Handle with appropriate personal protective equipment, including a dust mask type N95 (US), eyeshields, and gloves, in a well-ventilated area.

Is this product available for export?

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Yes, Tech Serve Solutions specialises in the global supply and export of fine chemicals, including (Ethoxycarbonylmethyl)triphenylphosphonium bromide.

How can I request a sample or quote for this chemical?

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Please contact our sales team directly through our website or by phone to request a sample or a quotation for (Ethoxycarbonylmethyl)triphenylphosphonium bromide.

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