7-methoxy-3H-isobenzofuran-1-one

Base Information

• Chemical Name: 7-methoxy-3H-isobenzofuran-1-one
• CAS No.: 28281-58-5
• Molecular Formula: C9H8 O3
• Molecular Weight: 164.161
• Hs Code.: 2932209090
• DSSTox Substance ID: DTXSID10450779
• Nikkaji Number: J955.438F
• Wikidata: Q82270598
• Mol file: 28281-58-5.mol

Synonyms:28281-58-5;7-methoxy-3H-isobenzofuran-1-one;7-methoxyisobenzofuran-1(3H)-one;7-methoxyphthalide;7-METHOXY-3H-2-BENZOFURAN-1-ONE;7-methoxy phthalide;SCHEMBL1029836;DTXSID10450779;SQDGLTMPUVJBDH-UHFFFAOYSA-N;7-methoxylisobenzofuran-1(3H)-one;7-methoxy-2-benzofuran-1(3H)-one;BS-50994;7-methoxy-1,3-dihydro-2-benzofuran-1-one;CS-0197112;N14311

Chemical Property of 7-methoxy-3H-isobenzofuran-1-one

Chemical Property:

• PSA: 35.53000
• LogP: 1.36560
• XLogP3: 1.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 164.047344113
• Heavy Atom Count: 12
• Complexity: 190

Purity/Quality:

99%, ^*data from raw suppliers

7-Methoxyisobenzofuran-1(3H)-one 97% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1=CC=CC2=C1C(=O)OC2

Technology Process of 7-methoxy-3H-isobenzofuran-1-one

There total 46 articles about 7-methoxy-3H-isobenzofuran-1-one 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%

4-bromo-7-methoxyisobenzofuran-1(3H)-one (130662-48-5) → 7-methoxyisobenzofuran-1(3H)-one (28281-58-5)

Guidance literature:

With 5%-palladium/activated carbon; hydrogen; In methanol; dichloromethane; at 20 ℃; for 2h;

DOI:10.1016/j.tet.2017.11.035

Reference yield: 100.0%

Methyl-6-(chloromethyl)-2-methoxybenzoate (91127-30-9) → 7-methoxyisobenzofuran-1(3H)-one (28281-58-5)

Guidance literature:

destillation;

DOI:10.1021/jo00192a002

Reference yield: 98.0%

N,N-diethyl-2-formyl-6-methoxybenzamide (70946-17-7) → 7-methoxyisobenzofuran-1(3H)-one (28281-58-5)

Guidance literature:

N,N-diethyl-2-formyl-6-methoxybenzamide; With sodium tetrahydroborate; In methanol; at 0 - 20 ℃; for 0.5h;

With hydrogenchloride; water; In methanol; at 0 - 90 ℃; for 1.5h;

upstream raw materials:

diazomethane

7-hydroxy-1 (3H)-isobenzofuranone

3-methoxyphthalic anhydride

2-amino-3-methoxybenzoic acid

Downstream raw materials:

4-Methoxy-2-(2-vinyl-phenyl)-indan-1,3-dione

7-methoxy-3-(phenylthio)-1(3H)-isobenzofuranone

7-Methoxy-1-(2-methoxy-phenyl)-1,3-dihydro-isobenzofuran-1-ol

(+/-)-3-(4-methoxybenzyl)-7-methoxyphthalide

Refernces

• 1、 Uemura, Motokazu,Take, Kazuhiko,Isobe, Kazuo,Minami, Tatsuya,Hayashi, Yuji. "Directed regioselective lithiation of (η6-arene) chromium tricarbonyl complexes. Regioselective synthesis of anthraquinones and calamenenes". . p. 5771 - 5778. Retrieved 1985.
• 2、 Egan, Ben A.,Paradowski, Michael,Thomas, Lynne H.,Marquez, Rodolfo. "Regiocontrolled rearrangement of isobenzofurans". supporting information; experimental part. p. 2086 - 2089. Retrieved 2011/06/25.