Methyl 3-(phenylphosphanyl)propanoate

Base Information

• Chemical Name: Methyl 3-(phenylphosphanyl)propanoate
• CAS No.: 6798-65-8
• Molecular Formula: C10H13O2P
• Molecular Weight: 196.186
• DSSTox Substance ID: DTXSID40586893
• Nikkaji Number: J812.910J
• Wikidata: Q82479117
• Mol file: 6798-65-8.mol

Synonyms:Methyl 3-(phenylphosphanyl)propanoate;6798-65-8;DTXSID40586893

Chemical Property of Methyl 3-(phenylphosphanyl)propanoate

Chemical Property:

• XLogP3: 1.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 5
• Exact Mass: 196.06531665
• Heavy Atom Count: 13
• Complexity: 153

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)CCPC1=CC=CC=C1

Technology Process of Methyl 3-(phenylphosphanyl)propanoate

There total 5 articles about Methyl 3-(phenylphosphanyl)propanoate 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: 90.0%

acrylic acid methyl ester (292638-85-8,9003-21-8,96-33-3) + phenylphosphane (638-21-1) → methyl 3-(phenylphosphanyl)propanoate (6798-65-8)

Guidance literature:

With [κ⁵-N,N,N,N,C-(Me₃SiNCH₂CH₂)₂NCH₂CH₂NSiMe₂CH₂]Zr; In benzene-d6; at 22 ℃; for 6h; Reagent/catalyst; regioselective reaction;

DOI:10.1021/ja503036z

Reference yield:

acrylic acid methyl ester (292638-85-8,9003-21-8,96-33-3) + phenylphosphane (638-21-1) → methyl 3-(phenylphosphanyl)propanoate (6798-65-8) + bis(2-(carbomethoxy)ethyl)phenylphosphine (6775-11-7)

Guidance literature:

With Zr(tBu-ONNMe₂O)Bn₂; at 20 ℃; for 20h; Inert atmosphere; Glovebox;

DOI:10.1039/c8dt02122h

Reference yield:

phenylphosphine borane complex (856617-73-7) → methyl 3-(phenylphosphanyl)propanoate (6798-65-8)

Guidance literature:

Multi-step reaction with 2 steps

1: 55 percent / toluene / 168 h / 20 °C

2: Et₂NH

With diethylamine; In toluene;

DOI:10.1016/S0040-4039(97)00247-5

upstream raw materials:

phenylphosphine borane complex

acrylic acid methyl ester

phenylphosphane