(3-Phenoxy-2-oxopropylidene)triphenylphosphorane

Base Information

• Chemical Name: (3-Phenoxy-2-oxopropylidene)triphenylphosphorane
• CAS No.: 33502-03-3
• Molecular Formula: C27H23 O2 P
• Molecular Weight: 410.452
• Hs Code.: 2931900090
• DSSTox Substance ID: DTXSID00451952
• Nikkaji Number: J772.813A
• Wikidata: Q82272266
• Mol file: 33502-03-3.mol

Synonyms:33502-03-3;1-phenoxy-3-(triphenyl-$l^{5}-phosphanylidene)propan-2-one;(3-PHENOXY-2-OXOPROPYLIDENE)TRIPHENYLPHOSPHORANE;1-phenoxy-3-(triphenyl-lambda5-phosphanylidene)propan-2-one;Phenoxyacetylmethylenetriphenylphosphorane;SCHEMBL9537259;DTXSID00451952;ZGDFXYHVIFUFEX-UHFFFAOYSA-N;MFCD05663702;AKOS017344653;1-(Triphenylphosphoranylidene)-3-phenoxyacetone;J-505050;1-Phenoxy-3-(triphenylphosphoranylidene)-2-propanone;1-Phenoxy-3-(triphenyl-lambda~5~-phosphanylidene)propan-2-one

Chemical Property of (3-Phenoxy-2-oxopropylidene)triphenylphosphorane

Chemical Property:

• PSA: 36.11000
• LogP: 4.43080
• XLogP3: 5.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 7
• Exact Mass: 410.14356697
• Heavy Atom Count: 30
• Complexity: 521

Purity/Quality:

85.0-99.8% ^*data from raw suppliers

(3-PHENOXY-2-OXOPROPYLIDENE)TRIPHENYLPHOSPHORANE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C=C1)OCC(=O)C=P(C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4

Technology Process of (3-Phenoxy-2-oxopropylidene)triphenylphosphorane

There total 8 articles about (3-Phenoxy-2-oxopropylidene)triphenylphosphorane which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield:

phenoxyacetylmethyltriphenylphosphonium chloride → 1-phenoxy-3-(triphenylphosphoranylidene)-2-propanone (33502-03-3)

Guidance literature:

With sodium hydroxide; In water;

Reference yield:

(Benzoylmethylene)triphenylphosphorane (20913-05-7,859-65-4) → 6-(7-hydroxyheptyl)-7-(3-oxo-4-phenoxybut-trans-1-enyl)-1,4-dioxaspiro[4.4]nonane + 1-phenoxy-3-(triphenylphosphoranylidene)-2-propanone (33502-03-3)

Guidance literature:

Reference yield:

(3-chloro-2-oxopropyl)triphenylphosphonium chloride (13605-65-7) → 1-phenoxy-3-(triphenylphosphoranylidene)-2-propanone (33502-03-3)

Guidance literature:

Multi-step reaction with 2 steps

1: Na₂CO₃ / methanol; H₂O / 0.5 h / Ambient temperature

2: NaH / dimethylformamide / 6 h / Ambient temperature

With sodium hydride; sodium carbonate; In methanol; water; N,N-dimethyl-formamide;

DOI:10.1016/0040-4039(96)01525-0

upstream raw materials:

3-Bromo-2-oxopropylidenetriphenylphosphorane

sodium phenoxide

1-chloro-3-(triphenylphosphoranylidene)acetone

phenol

Downstream raw materials:

1,1,2-Trichlor-6-phenoxy-hexa-1,3-dien-5-on

1,1,2-Trichlor-6-phenoxy-hexa-1,3-dien-5-on

4-Phenoxy-1-(4-nitro-phenyl)-but-1-en-3-on

4-Phenoxy-1-<4-nitro-phenyl>-but-1-en-3-on