7-Aminoisobenzofuran-1(3H)-one

Base Information

• Chemical Name: 7-Aminoisobenzofuran-1(3H)-one
• CAS No.: 3883-64-5
• Molecular Formula: C₈H₇NO₂
• Molecular Weight: 149.149
• Hs Code.: 2932209090
• DSSTox Substance ID: DTXSID20447958
• Nikkaji Number: J1.482.972E
• Wikidata: Q82266860
• Mol file: 3883-64-5.mol

Synonyms:7-AMINOISOBENZOFURAN-1(3H)-ONE;3883-64-5;7-AMINOZSOBENZOFURAN-1(3H)-ONE;1(3H)-Isobenzofuranone, 7-amino-;7-AMINO-3H-2-BENZOFURAN-1-ONE;7-amino-1,3-dihydro-2-benzofuran-1-one;7-amino-2-benzofuran-1(3H)-one;7-aminophthalide;SCHEMBL1611599;DTXSID20447958;ZOKRDQGDSFSYSE-UHFFFAOYSA-N;AMY36320;7-aminoisobenzo[b]furan-1(3h)-one;MFCD02091632;AKOS006278797;AS-60050;CS-0452030;FT-0654322;F16457;EN300-6770295;A824293;7-amino-3H-isobenzofuran-1-one;7-Aminoisobenzofuran-1(3H)-one

Chemical Property of 7-Aminoisobenzofuran-1(3H)-one

Chemical Property:

• PSA: 52.32000
• LogP: 1.52040
• XLogP3: 1.2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 149.047678466
• Heavy Atom Count: 11
• Complexity: 181

Purity/Quality:

97% ^*data from raw suppliers

7-AMINOISOBENZOFURAN-1(3H)-ONE 95 ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1C2=C(C(=CC=C2)N)C(=O)O1

Technology Process of 7-Aminoisobenzofuran-1(3H)-one

There total 13 articles about 7-Aminoisobenzofuran-1(3H)-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: 98.0%

7-nitro-3H-isobenzofuran-1-one (42760-46-3) → 7-aminophthalide (3883-64-5)

Guidance literature:

With hydrogen; palladium on activated charcoal; In ethyl acetate; for 1h;

DOI:10.1002/prac.19933350104

Reference yield: 48.0%

2-bromomethyl-6-amino-benzoic acid (632340-58-0) → 7-aminophthalide (3883-64-5)

Guidance literature:

With cesium fluoride; In acetonitrile; for 10h; Heating;

DOI:10.1081/SCC-120024003

Reference yield: 17.0%

2-amino-6-methylbenzoic acid (4389-50-8) → 7-aminophthalide (3883-64-5)

Guidance literature:

With sodium bromate; sodium hydrogensulfite; In water; acetonitrile; at 20 ℃;

DOI:10.1016/S0040-4039(00)02341-8

upstream raw materials:

7-acetamidophthalide

7-nitro-3H-isobenzofuran-1-one

tetrachloromethane

3-aminophthalimide

Downstream raw materials:

7-benzoylamino-phthalide

7-bromoisobenzofuran-1-(3H)-one

7-(o-carboxyphenyl)aminophthalide

7-(o-hydroxymethyl)phenylaminophthalide