[6-(4-Carbamimidoyl-phenylcarbamoyl)-1-oxo-3,4-dihydro-1H-isoquinolin-2-yl]-acetic acid tert-butyl ester

Base Information

• Chemical Name: [6-(4-Carbamimidoyl-phenylcarbamoyl)-1-oxo-3,4-dihydro-1H-isoquinolin-2-yl]-acetic acid tert-butyl ester
• CAS No.: 1026955-59-8
• Molecular Formula: C₂₃H₂₆N₄O₄
• Molecular Weight: 422.484

Synonyms:[6-(4-Carbamimidoyl-phenylcarbamoyl)-1-oxo-3,4-dihydro-1H-isoquinolin-2-yl]-acetic acid tert-butyl ester

Chemical Property of [6-(4-Carbamimidoyl-phenylcarbamoyl)-1-oxo-3,4-dihydro-1H-isoquinolin-2-yl]-acetic acid tert-butyl ester

Chemical Property:

Purity/Quality:

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Technology Process of [6-(4-Carbamimidoyl-phenylcarbamoyl)-1-oxo-3,4-dihydro-1H-isoquinolin-2-yl]-acetic acid tert-butyl ester

There total 12 articles about [6-(4-Carbamimidoyl-phenylcarbamoyl)-1-oxo-3,4-dihydro-1H-isoquinolin-2-yl]-acetic acid tert-butyl ester 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:

[6-(4-Methylsulfanylcarbonimidoyl-phenylcarbamoyl)-1-oxo-3,4-dihydro-1H-isoquinolin-2-yl]-acetic acid tert-butyl ester (1027716-42-2) → [6-(4-Carbamimidoyl-phenylcarbamoyl)-1-oxo-3,4-dihydro-1H-isoquinolin-2-yl]-acetic acid tert-butyl ester (1026955-59-8)

Guidance literature:

With ammonium acetate; In methanol; at 60 ℃; for 2h;

DOI:10.1021/jm9701076

Reference yield:

6-hydroxy-3,4-dihydro-2H-isoquinolin-1-one (22245-98-3) → [6-(4-Carbamimidoyl-phenylcarbamoyl)-1-oxo-3,4-dihydro-1H-isoquinolin-2-yl]-acetic acid tert-butyl ester (1026955-59-8)

Guidance literature:

Multi-step reaction with 11 steps

1: 98 percent / K₂CO₃ / acetone / 16 h / Heating

2: 1.) NaH / 1.) THF, reflux, 2 h, 2.) THF, RT, 1 h

3: 95 percent / H₂ / 10percent Pd/C / ethyl acetate / 1.5 h

4: 82 percent / pyridine / 0 - 20 °C

5: 72 percent / palladium(II) acetate, Ph₃P, Et₃N / dimethylformamide / 15 h / 65 °C

6: 85 percent / 0.1 N aq. LiOH / tetrahydrofuran / 12 h / Ambient temperature

7: oxalyl chloride, DMF / toluene / 1 h / Ambient temperature

8: pyridine / CH₂Cl₂ / 1 h / Ambient temperature

9: H₂S(g), Et₃N, pyridine / 48 h / Ambient temperature

10: acetone / 1 h / Heating

11: NH₄OAc / methanol / 2 h / 60 °C

With pyridine; lithium hydroxide; oxalyl dichloride; hydrogen sulfide; ammonium acetate; hydrogen; palladium diacetate; sodium hydride; potassium carbonate; triethylamine; N,N-dimethyl-formamide; triphenylphosphine; palladium on activated charcoal; In tetrahydrofuran; methanol; dichloromethane; ethyl acetate; N,N-dimethyl-formamide; acetone; toluene;

DOI:10.1021/jm9701076

Reference yield:

bromoacetic acid tert-butyl ester (5292-43-3) → [6-(4-Carbamimidoyl-phenylcarbamoyl)-1-oxo-3,4-dihydro-1H-isoquinolin-2-yl]-acetic acid tert-butyl ester (1026955-59-8)

Guidance literature:

Multi-step reaction with 10 steps

1: 1.) NaH / 1.) THF, reflux, 2 h, 2.) THF, RT, 1 h

2: 95 percent / H₂ / 10percent Pd/C / ethyl acetate / 1.5 h

3: 82 percent / pyridine / 0 - 20 °C

4: 72 percent / palladium(II) acetate, Ph₃P, Et₃N / dimethylformamide / 15 h / 65 °C

5: 85 percent / 0.1 N aq. LiOH / tetrahydrofuran / 12 h / Ambient temperature

6: oxalyl chloride, DMF / toluene / 1 h / Ambient temperature

7: pyridine / CH₂Cl₂ / 1 h / Ambient temperature

8: H₂S(g), Et₃N, pyridine / 48 h / Ambient temperature

9: acetone / 1 h / Heating

10: NH₄OAc / methanol / 2 h / 60 °C

With pyridine; lithium hydroxide; oxalyl dichloride; hydrogen sulfide; ammonium acetate; hydrogen; palladium diacetate; sodium hydride; triethylamine; N,N-dimethyl-formamide; triphenylphosphine; palladium on activated charcoal; In tetrahydrofuran; methanol; dichloromethane; ethyl acetate; N,N-dimethyl-formamide; acetone; toluene;

DOI:10.1021/jm9701076

upstream raw materials:

[6-(4-Methylsulfanylcarbonimidoyl-phenylcarbamoyl)-1-oxo-3,4-dihydro-1H-isoquinolin-2-yl]-acetic acid tert-butyl ester

6-hydroxy-3,4-dihydro-2H-isoquinolin-1-one

bromoacetic acid tert-butyl ester

6-(benzyloxy)-3,4-dihydroisoquinolin-1(2H)-one

Downstream raw materials:

{6-[4-(tert-Butoxycarbonylamino-imino-methyl)-phenylcarbamoyl]-1-oxo-3,4-dihydro-1H-isoquinolin-2-yl}-acetic acid tert-butyl ester

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