2a-(4-Chlorophenylcarbamoyloxymethyl)-2a,7b-dihydro-7b-methyl-1,2-dioxeto(3,4-b)benzofuran

Base Information

• Chemical Name: 2a-(4-Chlorophenylcarbamoyloxymethyl)-2a,7b-dihydro-7b-methyl-1,2-dioxeto(3,4-b)benzofuran
• CAS No.: 128753-99-1
• Molecular Formula: C17H14 Cl N O5
• Molecular Weight: 347.7498
• DSSTox Substance ID: DTXSID70926208

Synonyms:128753-99-1;CCRIS 4162;DTXSID70926208;2a-(4-Chlorophenylcarbamoyloxymethyl)-2a,7b-dihydro-7b-methyl-1,2-dioxeto(3,4-b)benzofuran;(7b-methyl[1,2]dioxeto[3,4-b][1]benzofuran-2a(7bH)-yl)methyl (4-chlorophenyl)carbamate;2A-(4-CHLOROPHENYLCARBAMOYLOXYMETHYL)-2A,7B-DIHYDRO-7B-METHYL-1,2-DIOXETO[3,4-B] BENZOFURAN

Chemical Property of 2a-(4-Chlorophenylcarbamoyloxymethyl)-2a,7b-dihydro-7b-methyl-1,2-dioxeto(3,4-b)benzofuran

Chemical Property:

• Vapor Pressure: 2.48E-07mmHg at 25°C
• Boiling Point: 422.1°Cat760mmHg
• Flash Point: 209.1°C
• Density: 1.482g/cm³
• XLogP3: 3.2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 4
• Exact Mass: 347.0560502
• Heavy Atom Count: 24
• Complexity: 497

Purity/Quality:

85.0-99.8% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC12C3=CC=CC=C3OC1(OO2)COC(=O)NC4=CC=C(C=C4)Cl

Technology Process of 2a-(4-Chlorophenylcarbamoyloxymethyl)-2a,7b-dihydro-7b-methyl-1,2-dioxeto(3,4-b)benzofuran

There total 3 articles about 2a-(4-Chlorophenylcarbamoyloxymethyl)-2a,7b-dihydro-7b-methyl-1,2-dioxeto(3,4-b)benzofuran 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: 34.0%

2-(4-Chlorophenylcarbamoyloxymethyl)-3-methylbenzofuran (128753-79-7) → 2a-(4-Chlorophenylcarbamoyloxymethyl)-2a,7b-dihydro-7b-methyl-1,2-dioxeto<3,4-b>benzofuran (128753-99-1)

Guidance literature:

With oxygen; 5,15,10,20-tetraphenylporphyrin; In dichloromethane; at -15 ℃; for 4h; Irradiation;

Reference yield:

2-(hydroxymethyl)-3-methylbenzofuran (55581-62-9) → 2a-(4-Chlorophenylcarbamoyloxymethyl)-2a,7b-dihydro-7b-methyl-1,2-dioxeto<3,4-b>benzofuran (128753-99-1)

Guidance literature:

Multi-step reaction with 2 steps

1: 69 percent / various solvent(s) / 4 h / Heating

2: 34 percent / oxygen / tetraphenylporphine / CH₂Cl₂ / 4 h / -15 °C / Irradiation

With oxygen; 5,15,10,20-tetraphenylporphyrin; In dichloromethane;

Reference yield:

p-chlorphenylisocyanate (104-12-1) → 2a-(4-Chlorophenylcarbamoyloxymethyl)-2a,7b-dihydro-7b-methyl-1,2-dioxeto<3,4-b>benzofuran (128753-99-1)

Guidance literature:

Multi-step reaction with 2 steps

1: 69 percent / various solvent(s) / 4 h / Heating

2: 34 percent / oxygen / tetraphenylporphine / CH₂Cl₂ / 4 h / -15 °C / Irradiation

With oxygen; 5,15,10,20-tetraphenylporphyrin; In dichloromethane;

upstream raw materials:

2-(4-Chlorophenylcarbamoyloxymethyl)-3-methylbenzofuran

2-(hydroxymethyl)-3-methylbenzofuran

p-chlorphenylisocyanate

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