3(2H)-Isoquinolinone, 1,4-dihydro-2-methyl-1-phenyl-

Base Information

• Chemical Name: 3(2H)-Isoquinolinone, 1,4-dihydro-2-methyl-1-phenyl-
• CAS No.: 13748-35-1
• Molecular Formula: C16H15NO
• Molecular Weight: 237.301
• DSSTox Substance ID: DTXSID30482173
• Nikkaji Number: J2.335.635J
• Mol file: 13748-35-1.mol

Synonyms:13748-35-1;3(2H)-Isoquinolinone, 1,4-dihydro-2-methyl-1-phenyl-;DTXSID30482173

Chemical Property of 3(2H)-Isoquinolinone, 1,4-dihydro-2-methyl-1-phenyl-

Chemical Property:

• XLogP3: 2.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 237.115364102
• Heavy Atom Count: 18
• Complexity: 308

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CN1C(C2=CC=CC=C2CC1=O)C3=CC=CC=C3

Technology Process of 3(2H)-Isoquinolinone, 1,4-dihydro-2-methyl-1-phenyl-

There total 11 articles about 3(2H)-Isoquinolinone, 1,4-dihydro-2-methyl-1-phenyl- 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: 95.0%

phenylacetyl chloride (103-80-0) + N-benzylidenemethylamine (25521-74-8) → 1-phenyl-2-methyl-1,4-dihydro-3(2H)-isoquinolinone (13748-35-1)

Guidance literature:

phenylacetyl chloride; N-benzylidenemethylamine; In dichloromethane;

With trifluorormethanesulfonic acid; In dichloromethane; at 20 ℃; for 2h; Further stages.;

DOI:10.1055/s-2006-942387

Reference yield: 92.0%

[2-Methyl-1-phenyl-1,4-dihydro-2H-isoquinolin-(3Z)-ylidene]-(4-nitro-phenyl)-amine → 1-phenyl-2-methyl-1,4-dihydro-3(2H)-isoquinolinone (13748-35-1)

Guidance literature:

With hydrogenchloride; for 2h; Heating;

DOI:10.1016/S0040-4020(01)81992-X

Reference yield: 92.0%

[2-Methyl-1-phenyl-1,4-dihydro-2H-isoquinolin-(3E)-ylidene]-phosphoramidic acid diphenyl ester → 1-phenyl-2-methyl-1,4-dihydro-3(2H)-isoquinolinone (13748-35-1)

Guidance literature:

With hydrogenchloride; for 2h; Heating;

DOI:10.1016/S0040-4020(01)81992-X

upstream raw materials:

1-phenyl-1,4-dihydro-3(2H)-isoquinolinone

dimethyl sulfate

phenylacetyl chloride

N-benzylidenemethylamine

Downstream raw materials:

3-hydroxy-2-methyl-3-phenyl-2,3-dihydro-isoindol-1-one

(E)-1-phenyl-4-(hydroxyimino)-2-methyl-1,4-dihydro-3(2H)-isoquinolinone

(Z)-1-phenyl-4-(hydroxyimino)-2-methyl-1,4-dihydro-3(2H)-isoquinolinone

1-phenyl-2-methyl-4-(4'-nitrobenzylidene)-1,4-dihydro-3(2H)-isoquinolinone