3,5-Xylyl phosphorodichloridate

Base Information

• Chemical Name: 3,5-Xylyl phosphorodichloridate
• CAS No.: 775-08-6
• Molecular Formula: C8H9 Cl2 O2 P
• Molecular Weight: 239.038
• NSC Number: 62001
• DSSTox Substance ID: DTXSID20289577
• Nikkaji Number: J32.899E
• Wikidata: Q82026933
• Mol file: 775-08-6.mol

Synonyms:3,5-Xylyl phosphorodichloridate;775-08-6;1-dichlorophosphoryloxy-3,5-dimethylbenzene;NSC62001;DTXSID20289577;NSC-62001;3,5-Dimethylphenyl phosphorodichloridate

Chemical Property of 3,5-Xylyl phosphorodichloridate

Chemical Property:

• Vapor Pressure: 0.00389mmHg at 25°C
• Boiling Point: 289.1°C at 760 mmHg
• Flash Point: 160°C
• PSA: 36.11000
• Density: 1.355g/cm³
• LogP: 4.26790
• XLogP3: 3.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 237.9717219
• Heavy Atom Count: 13
• Complexity: 206

Purity/Quality:

99% ^*data from raw suppliers

3,5-DIMETHYL PHENYL PHOSPHORYL DICHLORIDE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC(=CC(=C1)OP(=O)(Cl)Cl)C

Technology Process of 3,5-Xylyl phosphorodichloridate

There total 2 articles about 3,5-Xylyl 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:

3,5-Dimethylphenol (108-68-9,50356-23-5) → dichlorophosphoric acid-(3,5-dimethyl-phenyl ester) (775-08-6) + chlorophosphoric acid bis-(3,5-dimethyl-phenyl ester) (58377-73-4)

Guidance literature:

With aluminium trichloride; trichlorophosphate;

DOI:10.1021/ja01536a052

Reference yield:

3,5-Dimethylphenol (108-68-9,50356-23-5) → dichlorophosphoric acid-(3,5-dimethyl-phenyl ester) (775-08-6)

Guidance literature:

With potassium carbonate; trichlorophosphate; In 1,4-dioxane; for 24h; Reflux;

DOI:10.1021/jf072901y

Reference yield: 76.0%

dichlorophosphoric acid-(3,5-dimethyl-phenyl ester) (775-08-6) + 2-hydroxy-5-chloro-aniline (95-85-2) → C20H17Cl2N2O3P (125790-32-1)

Guidance literature:

With triethylamine; In benzene; Heating;

upstream raw materials:

3,5-Dimethylphenol

Downstream raw materials:

2-(3,5-Dimethyl-phenoxy)-3H-[1,3,2]oxazaphospholo[4,5-b]pyridine 2-oxide

7-(3,5-Dimethyl-phenoxy)-2,3-dimethyl-5,9-dihydro-6,8-dithia-7-phospha-benzocycloheptene 7-oxide

6-(3,5-Dimethyl-phenoxy)-5,7-dioxa-6-phospha-dibenzo[a,c]cycloheptene 6-oxide

2,10-Dichloro-6-(3,5-dimethyl-phenoxy)-12H-5,7-dioxa-6-phospha-dibenzo[a,d]cyclooctene 6-oxide

Refernces