3a,7a-Dihydro-2-benzofuran-1,3-dione

Base Information

• Chemical Name: 3a,7a-Dihydro-2-benzofuran-1,3-dione
• CAS No.: 4436-49-1
• Molecular Formula: C8H6 O3
• Molecular Weight: 150.134
• NSC Number: 176872
• DSSTox Substance ID: DTXSID50306468
• Mol file: 4436-49-1.mol

Synonyms:3a,7a-dihydro-2-benzofuran-1,3-dione;4436-49-1;NSC176872;1,2-dihydrophthalic anhydride;SCHEMBL801896;DTXSID50306468;AKOS006286975;NSC-176872

Chemical Property of 3a,7a-Dihydro-2-benzofuran-1,3-dione

Chemical Property:

• Vapor Pressure: 0.000222mmHg at 25°C
• Boiling Point: 326°Cat760mmHg
• Flash Point: 162.6°C
• Density: 1.348g/cm³
• XLogP3: 1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 150.031694049
• Heavy Atom Count: 11
• Complexity: 247

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC2C(C=C1)C(=O)OC2=O

Technology Process of 3a,7a-Dihydro-2-benzofuran-1,3-dione

There total 5 articles about 3a,7a-Dihydro-2-benzofuran-1,3-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:

(1R,7S)-9,9-Dimethyl-4,8-dioxa-9-sila-tricyclo[5.2.2.02,6]undec-10-ene-3,5-dione (84521-19-7) → phthalic anhydride (85-44-9) + 1,2-dihydrophthalic anhydride (4436-49-1) + Hexamethylcyclotrisiloxane (541-05-9)

Guidance literature:

In various solvent(s); at 180 ℃; for 2h;

DOI:10.1021/ja00343a031

Reference yield:

3,3-dimethyl-2-oxa-3-sila-bicyclo[2.2.2]oct-7-ene-5exo,6exo-dicarboxylic acid anhydride (84521-19-7) → phthalic anhydride (85-44-9) + 1,2-dihydrophthalic anhydride (4436-49-1) + dimethylsilanone (47956-45-6)

Guidance literature:

at 400 - 1000 ℃; under 0.0001 - 1 Torr;

DOI:10.1016/0022-328X(88)80151-7

Reference yield:

(1R,7S)-9-Methyl-9-trimethylsilanyl-4,8-dioxa-9-sila-tricyclo[5.2.2.02,6]undec-10-ene-3,5-dione (84521-25-5) → phthalic anhydride (85-44-9) + 1,2-dihydrophthalic anhydride (4436-49-1) + C8H24O3Si3 (84521-26-6)

Guidance literature:

With dimethyldimethoxysilan; at 150 ℃; for 8h;

DOI:10.1021/ja00343a031

upstream raw materials:

dimethyldimethoxysilan

(1R,7S)-9-Methyl-9-trimethylsilanyl-4,8-dioxa-9-sila-tricyclo[5.2.2.0^2,6]undec-10-ene-3,5-dione

dimethoxy(diphenyl)silane

(1R,7S)-9,9-Dimethyl-4,8-dioxa-9-sila-tricyclo[5.2.2.0^2,6]undec-10-ene-3,5-dione

Downstream raw materials:

4,9-Dihydroxy-2-phenyl-benzo[f]isoindole-1,3-dione

3-hydroxy-1(3H)-isobenzofuranone

Refernces

• 1、 Hussmann, Gregory,Wulff, William D.,Barton, Thomas J.. "Direct Thermal and Photochemical Generation of Silanones". . p. 1263 - 1269. Retrieved 2007/10/02.