2-Chloro-2H,4H-1,3,2lambda~5~-benzodioxaphosphinine-2,4-dione

Base Information

• Chemical Name: 2-Chloro-2H,4H-1,3,2lambda~5~-benzodioxaphosphinine-2,4-dione
• CAS No.: 5381-98-6
• Molecular Formula: C7H4 Cl O4 P
• Molecular Weight: 218.53
• Hs Code.: 2914700090
• NSC Number: 46474
• DSSTox Substance ID: DTXSID30286552
• Mol file: 5381-98-6.mol

Synonyms:5381-98-6;ANHYDRO-(O-CARBOXYPHENYL)PHOSPHOROCHLORIDATE;2-Chloro-2H,4H-1,3,2lambda~5~-benzodioxaphosphinine-2,4-dione;Anhydro-(O-carboxyphenyl)phosphorochloridate, >90%;2-chloro-2-oxo-1,3,2lambda5-benzodioxaphosphinin-4-one;NSC46474;DTXSID30286552;NSC-46474;FT-0662182;2-Chloro-4H-benzo[d][1,3,2]dioxaphosphinin-4-one 2-oxide

Chemical Property of 2-Chloro-2H,4H-1,3,2lambda~5~-benzodioxaphosphinine-2,4-dione

Chemical Property:

• Vapor Pressure: 0.000219mmHg at 25°C
• Boiling Point: 326.2°Cat760mmHg
• Flash Point: 208°C
• PSA: 119.94000
• Density: 1.62g/cm³
• LogP: 3.10740
• Storage Temp.: Refrigerator, Under Inert Atmosphere
• Solubility.: Chloroform (Slightly), DMSO (Slightly)
• XLogP3: 1.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 0
• Exact Mass: 217.9535733
• Heavy Atom Count: 13
• Complexity: 280

Purity/Quality:

99% ^*data from raw suppliers

Anhydro-(O-carboxyphenyl)phosphorochloridate,>90% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C2C(=C1)C(=O)OP(=O)(O2)Cl
• Uses: A enicillin-Like?inhibitor of ?Lactamases A “Penicillin-Like”-inhibitor of β-Lactamases.

Technology Process of 2-Chloro-2H,4H-1,3,2lambda~5~-benzodioxaphosphinine-2,4-dione

There total 3 articles about 2-Chloro-2H,4H-1,3,2lambda~5~-benzodioxaphosphinine-2,4-dione 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: 100.0%

salicylic acid (69-72-7,25496-36-0,8052-31-1) → 2-chloro-2-oxo-2λ5-benzo[1,3,2]dioxaphosphorin-4-one (5381-98-6)

Guidance literature:

With phosphorus trichloride; at 80 ℃; for 5h; Inert atmosphere;

DOI:10.1016/j.reactfunctpolym.2021.105120

Reference yield:

2-dichlorophosphoryloxy-benzoyl chloride (6099-41-8) → 2-chloro-2-oxo-2λ5-benzo[1,3,2]dioxaphosphorin-4-one (5381-98-6)

Guidance literature:

Thermolysis;

DOI:10.1021/jo01062a009

Reference yield:

→ 2-chloro-2-oxo-2λ5-benzo[1,3,2]dioxaphosphorin-4-one (5381-98-6)

Guidance literature:

DOI:10.1021/jo01062a009

upstream raw materials:

2-dichlorophosphoryloxy-benzoyl chloride

salicylic acid