o-Tolyl phosphorodichloridate

Base Information

• Chemical Name: o-Tolyl phosphorodichloridate
• CAS No.: 6964-36-9
• Molecular Formula: C7H7 Cl2 O2 P
• Molecular Weight: 225.011
• NSC Number: 66504
• DSSTox Substance ID: DTXSID90290094
• Nikkaji Number: J32.902I
• Wikidata: Q82027683
• Mol file: 6964-36-9.mol

Synonyms:o-Tolyl phosphorodichloridate;6964-36-9;phosphorodichloridic acid 2-methylphenyl ester;NSC66504;Phosphorodichloridic acid, 2-methylphenyl ester;SCHEMBL3762100;DTXSID90290094;NSC-66504;AKOS016025211

Chemical Property of o-Tolyl phosphorodichloridate

Chemical Property:

• Vapor Pressure: 0.0167mmHg at 25°C
• Boiling Point: 263.5°Cat760mmHg
• Flash Point: 126.9°C
• Density: 1.405g/cm³
• XLogP3: 3.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 223.9560718
• Heavy Atom Count: 12
• Complexity: 192

Purity/Quality:

99%min ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC=CC=C1OP(=O)(Cl)Cl

Technology Process of o-Tolyl phosphorodichloridate

There total 2 articles about o-Tolyl phosphorodichloridate 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: 56.0%

ortho-cresol (95-48-7,77504-84-8) → 2-methylphenyl phosphorodichloridate (6964-36-9)

Guidance literature:

With lithium chloride; trichlorophosphate; for 24h; Reflux;

DOI:10.1016/j.poly.2010.04.002

Reference yield:

→ 2-methylphenyl phosphorodichloridate (6964-36-9)

Guidance literature:

o-Kresol, POCl3;

Reference yield: 73.0%

2,2'-dihydroxybenzophenone (835-11-0) + 2-methylphenyl phosphorodichloridate (6964-36-9) → 6-oxo-6-o-tolyloxy-5,7-dioxa-6λ5-phospha-dibenzo[a,d]cycloocten-12-one

Guidance literature:

With triethylamine; In toluene; at 45 - 50 ℃;

upstream raw materials:

ortho-cresol

Downstream raw materials:

o-tolyl N,N,N',N'‐tetraethylphosphorodiamidate

2-oxo-2-o-tolyloxy-2λ⁵-benzo[1,3,2]dioxaphosphorin-4-one

diethyl o-methylphenyl phosphate

chlorophosphoric acid phenyl ester-o-tolyl ester

Refernces

• 1、 Chan, Li Yan,Cheong, Lilian,Kim, Sunggak. "Pd(II)-catalyzed ortho-arylation of aryl phosphates and aryl hydrogen phosphates with diaryliodonium triflates". supporting information. p. 2186 - 2189. Retrieved 2013/06/05.
• 2、 Antony, Rosy,Ravindran, Sumisha,Mary. "Synthesis, characterization and thermal studies of cresol based polyphosphate esters". . p. 701 - 703. Retrieved 2012/10/29.