2H-1,2-Benzoxaphosphorin, 2,5,6,7,8-pentachloro-4-phenyl-, 2-oxide

Base Information

• Chemical Name: 2H-1,2-Benzoxaphosphorin, 2,5,6,7,8-pentachloro-4-phenyl-, 2-oxide
• CAS No.: 515836-36-9
• Molecular Formula: C14H6Cl5O2P
• Molecular Weight: 414.439
• DSSTox Substance ID: DTXSID80476148
• Mol file: 515836-36-9.mol

Synonyms:515836-36-9;2H-1,2-Benzoxaphosphorin, 2,5,6,7,8-pentachloro-4-phenyl-, 2-oxide;DTXSID80476148

Chemical Property of 2H-1,2-Benzoxaphosphorin, 2,5,6,7,8-pentachloro-4-phenyl-, 2-oxide

Chemical Property:

• XLogP3: 5.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 413.851855
• Heavy Atom Count: 22
• Complexity: 508

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C=C1)C2=CP(=O)(OC3=C2C(=C(C(=C3Cl)Cl)Cl)Cl)Cl

Technology Process of 2H-1,2-Benzoxaphosphorin, 2,5,6,7,8-pentachloro-4-phenyl-, 2-oxide

There total 3 articles about 2H-1,2-Benzoxaphosphorin, 2,5,6,7,8-pentachloro-4-phenyl-, 2-oxide 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: 27.0%

o-tetrachloroquinone (2435-53-2) + phenylacetylene (536-74-3) → 2-oxo-4-phenyl-2,5,6,7,8-pentachlorobenzo[e]-1,2,λ5(2H)-oxaphosphorine (515836-36-9)

Guidance literature:

With phosphorus trichloride; In benzene; at 10 - 15 ℃; for 1h;

DOI:10.1023/A:1020909828276

Reference yield: 25.0%

2,2,2,4,5,6,7-heptachlorobenzo[d]-λ5-1,3,2-dioxaphosphol (22922-28-7) + phenylacetylene (536-74-3) → 2-oxo-4-phenyl-2,5,6,7,8-pentachlorobenzo[e]-1,2,λ5(2H)-oxaphosphorine (515836-36-9) + C14H6Cl7O2P + C14H6Cl7O2P

Guidance literature:

In dichloromethane; at 10 - 15 ℃; for 2h;

DOI:10.1023/A:1023349414864

Reference yield:

o-tetrachloroquinone (2435-53-2) → 2-oxo-4-phenyl-2,5,6,7,8-pentachlorobenzo[e]-1,2,λ5(2H)-oxaphosphorine (515836-36-9)

Guidance literature:

Multi-step reaction with 2 steps

1: 87 percent / PCl₃ / CH₂Cl₂ / 24 h / Heating

2: 25 percent / CH₂Cl₂ / 2 h / 10 - 15 °C

With phosphorus trichloride; In dichloromethane;

DOI:10.1023/A:1023349414864

upstream raw materials:

o-tetrachloroquinone

phenylacetylene

2,2,2,4,5,6,7-heptachlorobenzo[d]-λ⁵-1,3,2-dioxaphosphol