3-Dimethylphosphorylbenzoic acid

Base Information

• Chemical Name: 3-Dimethylphosphorylbenzoic acid
• CAS No.: 53888-92-9
• Molecular Formula: C9H11O3P
• Molecular Weight: 198.15600
• European Community (EC) Number: 831-168-0
• DSSTox Substance ID: DTXSID701295867
• Mol file: 53888-92-9.mol

Synonyms:3-(DIMETHYLPHOSPHORYL)BENZOIC ACID;53888-92-9;3-dimethylphosphorylbenzoic acid;Benzoic acid, 3-(dimethylphosphinyl)-;SDCCGMLS-0064596.P001;m-dimethylphosphinylbenzoic acid;3-(Dimethylphosphinyl)benzoic acid;DTXSID701295867;GS0167;3-(DIMETHYLPHOSPHORYL)BENZOICACID;CS-0145680;EN300-1143522

Chemical Property of 3-Dimethylphosphorylbenzoic acid

Chemical Property:

• Melting Point: 200 - 201 °C
• PSA: 64.18000
• LogP: 1.63280
• XLogP3: 0.5
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 198.04458121
• Heavy Atom Count: 13
• Complexity: 243

Purity/Quality:

99% ^*data from raw suppliers

3-(Dimethylphosphoryl)benzoicacid ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CP(=O)(C)C1=CC=CC(=C1)C(=O)O

Technology Process of 3-Dimethylphosphorylbenzoic acid

There total 1 articles about 3-Dimethylphosphorylbenzoic acid 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:

→ m-Dimethylphosphinylbenzoesaeure (53888-92-9)

Guidance literature:

Ester VIII, KOH;

DOI:10.1007/BF00923206

Reference yield: 90.0%

m-Dimethylphosphinylbenzoesaeure (53888-92-9) + naphthalen-2-ylamine (91-59-8) → 3-(dimethylphosphoryl)-N-(naphthalen-2-yl)benzamide

Guidance literature:

m-Dimethylphosphinylbenzoesaeure; With triethylamine; isobutyl chloroformate; In dichloromethane; at -10 ℃; for 1h;

naphthalen-2-ylamine; In dichloromethane;

DOI:10.1021/acs.joc.1c01413