N-(4-Hydroxy-1-methyl-8-phenoxyisoquinoline-3-carbonyl)glycine

Base Information

Chemical Name:N-(4-Hydroxy-1-methyl-8-phenoxyisoquinoline-3-carbonyl)glycine
CAS No.:916171-77-2
Molecular Formula:C₁₉H₁₆N₂O₅
Molecular Weight:352.346
Hs Code.:
ChEMBL ID:CHEMBL3970839
DSSTox Substance ID:DTXSID30580007
Wikidata:Q82470725
Mol file:916171-77-2.mol

Synonyms:916171-77-2;2-(4-hydroxy-1-methyl-8-phenoxyisoquinoline-3-carboxamido)acetic acid;2-[(4-hydroxy-1-methyl-8-phenoxyisoquinolin-3-yl)formamido]acetic acid;SCHEMBL1218944;CHEMBL3970839;DTXSID30580007;VZWBCVNPMRVNEF-UHFFFAOYSA-N;BDBM227555;N-(4-Hydroxy-1-methyl-8-phenoxyisoquinoline-3-carbonyl)glycine;US9340511, 4

Suppliers and Price of N-(4-Hydroxy-1-methyl-8-phenoxyisoquinoline-3-carbonyl)glycine

Supply Marketing:

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

Manufacturers and distributors:

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Chemical Property of N-(4-Hydroxy-1-methyl-8-phenoxyisoquinoline-3-carbonyl)glycine

Chemical Property:

PSA：108.75000
LogP:3.24640
XLogP3:3.4
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:5
Exact Mass:352.10592162
Heavy Atom Count:26
Complexity:508

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC1=C2C(=C(C(=N1)C(=O)NCC(=O)O)O)C=CC=C2OC3=CC=CC=C3

Technology Process of N-(4-Hydroxy-1-methyl-8-phenoxyisoquinoline-3-carbonyl)glycine

There total 5 articles about N-(4-Hydroxy-1-methyl-8-phenoxyisoquinoline-3-carbonyl)glycine 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:

: methyl-4-hydroxy-1-methyl-8-phenoxyisoquinoline-3-carboxylate

: 56-40-6,18875-39-3,25718-94-9
glycine

: 916171-77-2
2-(4-hydroxy-1-methyl-8-phenoxyisoquinoline-3-carboxamido)acetic acid

Guidance literature:: methyl-4-hydroxy-1-methyl-8-phenoxyisoquinoline-3-carboxylate; glycine; With sodium methylate; In methanol; at 110 ℃; Sealed tube;

With acetic acid; at 20 ℃;

Reference yield:

: methyl-1-((dimethylamino)methyl)-4-hydroxy-8-phenoxyisoquinoline-3-carboxylate

: 916171-77-2
2-(4-hydroxy-1-methyl-8-phenoxyisoquinoline-3-carboxamido)acetic acid

Guidance literature:: Multi-step reaction with 3 steps

1.1: 25 - 100 °C

2.1: palladium on activated charcoal; sodium carbonate; hydrogen / ethyl acetate / 60 °C / 3102.97 Torr / Inert atmosphere

3.1: sodium methylate / methanol / 110 °C / Sealed tube

3.2: 20 °C

With palladium on activated charcoal; hydrogen; sodium methylate; sodium carbonate; In methanol; ethyl acetate;

Reference yield:

: 945740-25-0
4-hydroxy-8-phenoxy-isoquinoline-3-carboxylic acid methyl ester

: 916171-77-2
2-(4-hydroxy-1-methyl-8-phenoxyisoquinoline-3-carboxamido)acetic acid

Guidance literature:: Multi-step reaction with 4 steps

1.1: acetic acid / 55 °C

2.1: 25 - 100 °C

3.1: palladium on activated charcoal; sodium carbonate; hydrogen / ethyl acetate / 60 °C / 3102.97 Torr / Inert atmosphere

4.1: sodium methylate / methanol / 110 °C / Sealed tube

4.2: 20 °C

With palladium on activated charcoal; hydrogen; sodium methylate; sodium carbonate; acetic acid; In methanol; ethyl acetate;