1,4-Dihydro-6-phenylmethoxy-3(2H)-isoquinolinone

Base Information

Chemical Name:1,4-Dihydro-6-phenylmethoxy-3(2H)-isoquinolinone
CAS No.:252061-87-3
Molecular Formula:C16H15 N O2
Molecular Weight:253.3
Hs Code.:
DSSTox Substance ID:DTXSID10363734
Wikidata:Q82147472
Mol file:252061-87-3.mol

Synonyms:252061-87-3;1,4-Dihydro-6-phenylmethoxy-3(2H)-isoquinolinone;6-phenylmethoxy-2,4-dihydro-1H-isoquinolin-3-one;6-(Benzyloxy)-1,2-dihydroisoquinolin-3(4H)-one;6-(Benzyloxy)-1,4-dihydroisoquinolin-3(2H)-one;DTXSID10363734;MFCD03426206;CS-0336196

Suppliers and Price of 1,4-Dihydro-6-phenylmethoxy-3(2H)-isoquinolinone

Supply Marketing:

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

Manufacturers and distributors:

Manufacture/Brand
Chemicals and raw materials
Packaging
price

Total 3 raw suppliers

Chemical Property of 1,4-Dihydro-6-phenylmethoxy-3(2H)-isoquinolinone

Chemical Property:

Vapor Pressure:3.23E-10mmHg at 25°C
Refractive Index:1.6
Boiling Point:502.3°Cat760mmHg
PKA:15.21±0.20(Predicted)
Flash Point:257.6°C
PSA：41.82000
Density:1.186g/cm³
LogP:2.71380
XLogP3:2.2
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:3
Exact Mass:253.110278721
Heavy Atom Count:19
Complexity:312

Purity/Quality:: 97% ^*data from raw suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:C1C2=C(CNC1=O)C=CC(=C2)OCC3=CC=CC=C3

Technology Process of 1,4-Dihydro-6-phenylmethoxy-3(2H)-isoquinolinone

There total 3 articles about 1,4-Dihydro-6-phenylmethoxy-3(2H)-isoquinolinone 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:

: 252061-86-2
(2-azidomethyl-5-benzyloxy-phenyl)-acetic acid methyl ester

: 252061-87-3
6-benzyloxy-1,4-dihydro-2H-isoquinolin-3-one

Guidance literature:: With triphenylphosphine;
DOI:10.1021/jm990365y

Reference yield:

: 6-benzyloxy-isochroman-3-one

: 252061-87-3
6-benzyloxy-1,4-dihydro-2H-isoquinolin-3-one

Guidance literature:: Multi-step reaction with 3 steps

1: HBr

2: lithium azide

3: Ph₃P

With lithium azide; hydrogen bromide; triphenylphosphine; 1: Ring cleavage / 2: Substitution / 3: Cyclization;
DOI:10.1021/jm990365y

Reference yield:

: 252061-85-1
(5-benzyloxy-2-bromomethyl-phenyl)-acetic acid methyl ester

: 252061-87-3
6-benzyloxy-1,4-dihydro-2H-isoquinolin-3-one

Guidance literature:: Multi-step reaction with 2 steps

1: lithium azide

2: Ph₃P

With lithium azide; triphenylphosphine; 1: Substitution / 2: Cyclization;
DOI:10.1021/jm990365y