2-Phenyl-3-(phenylmethyl)-4H-1,3,2-benzoxazaphosphorin-4-one 2-oxide

Base Information

• Chemical Name: 2-Phenyl-3-(phenylmethyl)-4H-1,3,2-benzoxazaphosphorin-4-one 2-oxide
• CAS No.: 143000-20-8
• Molecular Formula: C20H16 N O3 P
• Molecular Weight: 349.32
• DSSTox Substance ID: DTXSID80931722
• Nikkaji Number: J488.034J
• Mol file: 143000-20-8.mol

Synonyms:143000-20-8;2-Phenyl-3-(phenylmethyl)-4H-1,3,2-benzoxazaphosphorin-4-one 2-oxide;4H-1,3,2-Benzoxazaphosphorin-4-one, 2,3-dihydro-2-phenyl-3-(phenylmethyl)-, 2-oxide;3-benzyl-2-oxo-2-phenyl-1,3,2lambda5-benzoxazaphosphinin-4-one;8-benzyl-9-oxo-9-phenyl-10-oxa-8-aza-9$l^{5}-phosphabicyclo[4.4.0]deca -1,3,5-trien-7-one;C20H16NO3P;DTXSID80931722;QMBPIVKSVZYZME-UHFFFAOYSA-N;C20-H16-N-O3-P;LS-41618;2-Phenyl-3-benzyl-2,3-dihydro-4H-1,3,2-benzoxazaphosphorin-4-one 2-oxide;3-Benzyl-2-phenyl-2,3-dihydro-4H-1,3,2lambda~5~-benzoxazaphosphinine-2,4-dione

Chemical Property of 2-Phenyl-3-(phenylmethyl)-4H-1,3,2-benzoxazaphosphorin-4-one 2-oxide

Chemical Property:

• Vapor Pressure: 7.39E-11mmHg at 25°C
• Boiling Point: 518.6°Cat760mmHg
• PKA: -2.40±0.20(Predicted)
• Flash Point: 267.4°C
• PSA: 56.42000
• Density: 1.34g/cm³
• LogP: 4.17790
• XLogP3: 3.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 349.08678037
• Heavy Atom Count: 25
• Complexity: 525

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C=C1)CN2C(=O)C3=CC=CC=C3OP2(=O)C4=CC=CC=C4

Technology Process of 2-Phenyl-3-(phenylmethyl)-4H-1,3,2-benzoxazaphosphorin-4-one 2-oxide

There total 3 articles about 2-Phenyl-3-(phenylmethyl)-4H-1,3,2-benzoxazaphosphorin-4-one 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: 80.0%

P,P-dichlorophenylphosphine oxide (824-72-6) + N-benzylsalicylamide (20919-36-2) → 3-benzyl-2-phenyl-3-hydrobenzo[e][1,3,2]oxazaphosphinin-4-one 2-oxide (143000-20-8)

Guidance literature:

In xylene; for 50h; Heating;

DOI:10.1002/ardp.19923250603

Reference yield: 77.0%

Dichlorophenylphosphine (644-97-3) + benzyl azide (622-79-7) + salicylic acid (69-72-7,25496-36-0,8052-31-1) → 3-benzyl-2-phenyl-3-hydrobenzo[e][1,3,2]oxazaphosphinin-4-one 2-oxide (143000-20-8)

Guidance literature:

Dichlorophenylphosphine; salicylic acid; With triethylamine; In toluene; at 25 ℃; for 0.166667h; Inert atmosphere;

benzyl azide; In toluene; at 70 ℃; for 16h; Reagent/catalyst; Solvent; Temperature; Concentration; Inert atmosphere;

DOI:10.1039/d1gc03065e

Reference yield:

benzyl bromide (100-39-0) → 3-benzyl-2-phenyl-3-hydrobenzo[e][1,3,2]oxazaphosphinin-4-one 2-oxide (143000-20-8)

Guidance literature:

Multi-step reaction with 2 steps

1.1: sodium azide / water; tetrahydrofuran / 80 °C

2.1: triethylamine / toluene / 0.17 h / 25 °C / Inert atmosphere

2.2: 16 h / 70 °C / Inert atmosphere

With sodium azide; triethylamine; In tetrahydrofuran; water; toluene;

DOI:10.1039/d1gc03065e

upstream raw materials:

P,P-dichlorophenylphosphine oxide

N-benzylsalicylamide

Dichlorophenylphosphine

benzyl azide