Acetic acid, bromo(triphenylphosphoranylidene)-, methyl ester

Base Information

• Chemical Name: Acetic acid, bromo(triphenylphosphoranylidene)-, methyl ester
• CAS No.: 13504-77-3
• Molecular Formula: C21H18BrO2P
• Molecular Weight: 413.25
• DSSTox Substance ID: DTXSID10450279
• Nikkaji Number: J1.031.006G
• Wikidata: Q82269917
• Mol file: 13504-77-3.mol

Synonyms:13504-77-3;Methyl 2-bromo-2-(triphenylphosphoranylidene)acetate;Acetic acid, bromo(triphenylphosphoranylidene)-, methyl ester;SCHEMBL7358801;DTXSID10450279;carbomethoxybromomethylenetriphenyl-phosphorane;Methyl bromo(triphenylphosphoranylidene)acetate;Methyl2-bromo-2-(triphenylphosphoranylidene)acetate;Triphenylphosphoranylidenebromoacetic acid methyl ester

Chemical Property of Acetic acid, bromo(triphenylphosphoranylidene)-, methyl ester

Chemical Property:

• XLogP3: 5.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 5
• Exact Mass: 412.02278
• Heavy Atom Count: 25
• Complexity: 446

Purity/Quality:

85.0-99.8% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC(=O)C(=P(C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3)Br

Technology Process of Acetic acid, bromo(triphenylphosphoranylidene)-, methyl ester

There total 3 articles about Acetic acid, bromo(triphenylphosphoranylidene)-, methyl ester 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:

methyl (triphenylphosphoranylidene)acetate (21204-67-1,2605-67-6) → methyl 2-bromo-2-(triphenylphosphanylidene)acetate (13504-77-3)

Guidance literature:

With bromine; In benzene;

Reference yield:

methyl (triphenylphosphoranylidine)acetate → methyl 2-bromo-2-(triphenylphosphanylidene)acetate (13504-77-3)

Guidance literature:

With N-Bromosuccinimide; In chloroform; at -20 ℃; for 0.666667h; Inert atmosphere;

DOI:10.1021/acs.joc.6b00878

Reference yield:

→ methyl 2-bromo-2-(triphenylphosphanylidene)acetate (13504-77-3)

Guidance literature:

upstream raw materials:

methyl (triphenylphosphoranylidene)acetate

Downstream raw materials:

4-Brom-1-phenyl-pentadien-1,3-saeure-⁽⁵⁾

methyl 2-iodo-2-(triphenylphosphoranylidene)acetate

Bromo-[3-oxo-5-phenyl-3H-furan-(2E)-ylidene]-acetic acid methyl ester

methyl 2-bromo-3-(1-phenyl-5-tetrazolyl)acrylate