Cas no 15097-38-8 (Benzyl (Triphenylphosphoranylidene)acetate)

Benzyl (Triphenylphosphoranylidene)acetate is a Wittig reagent widely used in organic synthesis for the formation of carbon-carbon double bonds. This stable, crystalline compound facilitates the efficient conversion of aldehydes and ketones into α,β-unsaturated esters via the Wittig reaction. Its benzyl ester group enhances solubility in organic solvents, while the triphenylphosphoranylidene moiety ensures high reactivity and selectivity. The product is particularly valuable in the synthesis of complex molecules, including pharmaceuticals and fine chemicals, due to its predictable stereochemical outcomes and mild reaction conditions. Its robustness and ease of handling make it a preferred choice for constructing olefins in synthetic applications.
Benzyl (Triphenylphosphoranylidene)acetate structure
15097-38-8 structure
Product Name:Benzyl (Triphenylphosphoranylidene)acetate
CAS No:15097-38-8
MF:C27H23O2P
MW:410.444088220596
MDL:MFCD00191787
CID:50017
PubChem ID:3862746
Update Time:2025-06-08

Benzyl (Triphenylphosphoranylidene)acetate Chemical and Physical Properties

Names and Identifiers

    • Benzyl 2-(triphenylphosphoranylidene)acetate
    • Benzyl(triphenylphosphoranylidene)acetate
    • Benzyl(triphenylphosphoranylidene)acetate]
    • (Benzyloxycarbonylmethylene)triphenylphosphorane
    • 2-(Triphenylphosphoranylidene)acetic acid phenylmethyl ester
    • benzyl 2-(triphenyl-λ5-phosphanylidene)acetate
    • BENZYL (TRIPHENYLPHOSPHORANYLIDENE)ACETATE
    • Benzyl (triphenyl-lambda~5~-phosphanylidene)acetate
    • Acetic acid, (triphenylphosphoranylidene)-, phenylmethyl ester
    • phenylmethyl 2-(triphenylylidene)acetate
    • Benzyl (triphenylphosphoranylidene)acetate, 97%
    • benzyl 2-(triphenyl-
    • KSC526Q3L
    • C27H23O2P
    • INKMLGJBBDRIQR-UHFFFAOYSA-N
    • benzyl (triphenyl-lambda5-phosphanylidene)acetate
    • benzyloxycarbonylmethylene triphenyl phosphorane
    • benzyl triphenylphosphoranylidene-acetate
    • Acetic acid, 2-(triphenylphosphoranylidene)-, phenylmethyl ester
    • SY045501
    • Benzyl(triphenylphosphoranylidene)-acetate
    • AKOS015909319
    • W-200126
    • benzyl (triphenylphosphoranylidene)-acetate
    • Benzyl(triphenylphosphoranylidene)acetate, 97%
    • benzyl 2-(triphenyl-lambda5-phosphanylidene)acetate
    • GEO-02511
    • SCHEMBL2389657
    • CS-W013862
    • benzyloxycarbonylmethylene-triphenylphosphorane
    • AS-71699
    • DTXSID40397527
    • carbobenzyl-oxymethylenetriphenyl phosphorane
    • 15097-38-8
    • EN300-98832
    • benzyloxycarbonylmethylene triphenylphosphorane
    • MFCD00191787
    • benzyl 2-(triphenyl-??-phosphanylidene)acetate
    • BBL103078
    • STL556888
    • DB-129705
    • Benzyl (Triphenylphosphoranylidene)acetate
    • MDL: MFCD00191787
    • Inchi: 1S/C27H23O2P/c28-27(29-21-23-13-5-1-6-14-23)22-30(24-15-7-2-8-16-24,25-17-9-3-10-18-25)26-19-11-4-12-20-26/h1-20,22H,21H2
    • InChI Key: INKMLGJBBDRIQR-UHFFFAOYSA-N
    • SMILES: P(=CC(=O)OCC1C=CC=CC=1)(C1C=CC=CC=1)(C1C=CC=CC=1)C1C=CC=CC=1

Computed Properties

  • Exact Mass: 410.14400
  • Monoisotopic Mass: 410.14356697g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 30
  • Rotatable Bond Count: 7
  • Complexity: 521
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Surface Charge: 0
  • Tautomer Count: nothing
  • XLogP3: 5.5
  • Topological Polar Surface Area: 26.3

Experimental Properties

  • Color/Form: Not available
  • Melting Point: 120-122?°C (lit.)
  • Boiling Point: 571.1°C at 760 mmHg
  • PSA: 36.11000
  • LogP: 4.52610
  • Solubility: Not available

Benzyl (Triphenylphosphoranylidene)acetate Security Information

  • Hazard Statement: H302+H312+H332-H315-H319-H335
  • Hazardous Material transportation number:NONH for all modes of transport
  • WGK Germany:3
  • Hazard Category Code: R20/21/22;R36/37/38
  • Safety Instruction: 36/37/39-26-22
  • Hazardous Material Identification: Xn
  • Storage Condition:Inert atmosphere,2-8°C
  • Risk Phrases:R20/21/22; R36/37/38
  • Safety Term:S22;S26;S36/37/39

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Benzyl (Triphenylphosphoranylidene)acetate Production Method

Benzyl (Triphenylphosphoranylidene)acetate Suppliers

Amadis Chemical Company Limited
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(CAS:15097-38-8)Benzyl (Triphenylphosphoranylidene)acetate
Order Number:A809095
Stock Status:in Stock
Quantity:500g
Purity:99%
Pricing Information Last Updated:Friday, 30 August 2024 04:50
Price ($):472.0

Benzyl (Triphenylphosphoranylidene)acetate Related Literature

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Amadis Chemical Company Limited
(CAS:15097-38-8)Benzyl (Triphenylphosphoranylidene)acetate
A809095
Purity:99%
Quantity:500g
Price ($):472.0
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