2-(Acetyloxy)-2H-1,3,2-benzodioxaphosphole

Base Information

• Chemical Name: 2-(Acetyloxy)-2H-1,3,2-benzodioxaphosphole
• CAS No.: 21099-01-4
• Molecular Formula: C8H7O4P
• Molecular Weight: 198.115
• DSSTox Substance ID: DTXSID30529759
• Wikidata: Q82400422
• Mol file: 21099-01-4.mol

Synonyms:21099-01-4;2-(Acetyloxy)-2H-1,3,2-benzodioxaphosphole;DTXSID30529759

Chemical Property of 2-(Acetyloxy)-2H-1,3,2-benzodioxaphosphole

Chemical Property:

• XLogP3: 1.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 198.00819570
• Heavy Atom Count: 13
• Complexity: 194

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(=O)OP1OC2=CC=CC=C2O1

Technology Process of 2-(Acetyloxy)-2H-1,3,2-benzodioxaphosphole

There total 1 articles about 2-(Acetyloxy)-2H-1,3,2-benzodioxaphosphole 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: 60.0%

acetic anhydride (108-24-7) + 2-amino-4,5-benzo-1,3,2-dioxaphospholane (84635-79-0) → trimethylsilyl acetate (2754-27-0) + 2-acetyloxy-4,5-benzo-1,3,2-dioxaphospholane (21099-01-4) + 2-trimethylsiloxy-4,5-benzo-1,3,2-dioxaphospholane (61706-76-1)

Guidance literature:

at 100 ℃; for 1h;

DOI:10.1007/BF00959669

Reference yield: 72.0%

thiocyanogen (505-14-6) + 2-acetyloxy-4,5-benzo-1,3,2-dioxaphospholane (21099-01-4) → acetyl isothiocyanate (13250-46-9)

Guidance literature:

In dichloromethane; at -40 ℃; 1.) 1h, -40 deg C, 2.) 1h room temperature;

DOI:10.1016/S0040-4020(01)88637-3

Reference yield: 51.0%

2-acetyloxy-4,5-benzo-1,3,2-dioxaphospholane (21099-01-4) + N,N-diethyl-1,1,1-trimethylsilanamine (996-50-9) → trimethylsilyl acetate (2754-27-0) + N,N-diethyl-3-methyl-1,3,2-benzoaxaphosphol-2(3H)-amine (20621-24-3)

Guidance literature:

at 20 ℃; for 5h;

upstream raw materials:

acetic anhydride

2-amino-4,5-benzo-1,3,2-dioxaphospholane

Downstream raw materials:

5'-phenyl-2λ⁵-spiro[benzo[1,3,2]dioxaphosphole-2,2'-[1,3,2]dioxaphospholan]-4'-one

acetyl isothiocyanate

trimethylsilyl acetate

N,N-diethyl-3-methyl-1,3,2-benzoaxaphosphol-2(3H)-amine