Ethyl [(isoquinolin-5-yl)oxy]acetate

Base Information

Chemical Name:Ethyl [(isoquinolin-5-yl)oxy]acetate
CAS No.:130292-81-8
Molecular Formula:C₁₂H₁₁NO₃
Molecular Weight:217.224
Hs Code.:
DSSTox Substance ID:DTXSID80512590
Wikidata:Q82371916
Mol file:130292-81-8.mol

Synonyms:ethyl 2-isoquinolin-5-yloxyacetate;130292-81-8;Ethyl [(isoquinolin-5-yl)oxy]acetate;(ISOQUINOLIN-5-YLOXY)-ACETIC ACID ETHYL ESTER;ethyl 5-isoquinolyloxyacetate;ethyl 5-isoquinolyl-oxyacetate;SCHEMBL6999173;DTXSID80512590;UIPMSQCRENDMKW-UHFFFAOYSA-N;E86995;80278-26-8

Suppliers and Price of Ethyl [(isoquinolin-5-yl)oxy]acetate

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 6 raw suppliers

Chemical Property of Ethyl [(isoquinolin-5-yl)oxy]acetate

Chemical Property:

PSA：48.42000
LogP:2.17670
XLogP3:2.4
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:5
Exact Mass:231.08954328
Heavy Atom Count:17
Complexity:257

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

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CCOC(=O)COC1=CC=CC2=C1C=CN=C2

Technology Process of Ethyl [(isoquinolin-5-yl)oxy]acetate

There total 2 articles about Ethyl [(isoquinolin-5-yl)oxy]acetate 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:

: 7440-44-0
pyrographite

: 96-34-4
methyl chloroacetate

: 2439-04-5
5-hydroxyisoquinoline

: 130292-81-8
methyl 5-isoquinolyloxyacetate

Guidance literature:: With sodium methylate; In water; N,N-dimethyl-formamide; toluene;

Reference yield:

: 96-34-4
methyl chloroacetate

: 2439-04-5
5-hydroxyisoquinoline

: 130292-81-8
methyl 5-isoquinolyloxyacetate

Guidance literature:: 5-hydroxyisoquinoline; With sodium methylate; In N,N-dimethyl-formamide; for 1h;

methyl chloroacetate; In N,N-dimethyl-formamide;
DOI:10.1248/cpb.48.1310

Reference yield:

: 130292-81-8
methyl 5-isoquinolyloxyacetate

: (R)-N-tert-butyl-3-[(2S,3S)-2-hydroxy-3-[(S)-2-(5-isoquinolinyloxyacetyl)aminobutanoyl]amino-4-phenylbutanoyl]-1,3-thiazolidine-4-carboxamide

Guidance literature:: Multi-step reaction with 2 steps

1: 3 N NaOH / methanol / 1 h

2: 1-hydroxybenzotriazol; N-ethyl-N'-[3-(dimethylamino)propyl]carbodiimide*HCl; TEA / dimethylformamide

With sodium hydroxide; TEA; benzotriazol-1-ol; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; In methanol; N,N-dimethyl-formamide;
DOI:10.1248/cpb.48.1310