3-(2-chloro-4-isopropyl-phenyl)-8-ethyl-1-methyl-1,2,3,7-tetrahydro-purin-6-one

Base Information

• Chemical Name: 3-(2-chloro-4-isopropyl-phenyl)-8-ethyl-1-methyl-1,2,3,7-tetrahydro-purin-6-one
• CAS No.: 756481-49-9
• Molecular Formula: C₁₇H₂₁ClN₄O
• Molecular Weight: 332.833
• Mol file: 756481-49-9.mol

Synonyms:3-(2-chloro-4-isopropyl-phenyl)-8-ethyl-1-methyl-1,2,3,7-tetrahydro-purin-6-one

Chemical Property of 3-(2-chloro-4-isopropyl-phenyl)-8-ethyl-1-methyl-1,2,3,7-tetrahydro-purin-6-one

Chemical Property:

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

Technology Process of 3-(2-chloro-4-isopropyl-phenyl)-8-ethyl-1-methyl-1,2,3,7-tetrahydro-purin-6-one

There total 9 articles about 3-(2-chloro-4-isopropyl-phenyl)-8-ethyl-1-methyl-1,2,3,7-tetrahydro-purin-6-one 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:

4-isopropylphenylisocyanate (31027-31-3) → 3-(2-chloro-4-isopropyl-phenyl)-8-ethyl-1-methyl-1,2,3,7-tetrahydro-purin-6-one (756481-49-9)

Guidance literature:

Multi-step reaction with 10 steps

1.1: ethanol; tetrahydrofuran / 65 °C

2.1: N-chlorosuccinimide / acetonitrile / 90 °C

3.1: acetic anhydride / 85 °C

3.2: 20 percent NaOH / 70 °C

4.1: aq. NaNO₂; acetic acid / 50 - 75 °C

5.1: aq. NH₄OH; Na₂S₂O₄ / 50 °C

6.1: ethanol / Heating

7.1: K₂CO₃; Bu₄NI / dimethylformamide / 45 °C

8.1: 50 percent / LiAlH₄ / tetrahydrofuran / 1.25 h / 0 °C

9.1: p-TsOH*H₂O / toluene / Heating

10.1: trifluoroacetic acid / CHCl₃ / 80 °C

With ammonium hydroxide; N-chloro-succinimide; lithium aluminium tetrahydride; sodium dithionite; acetic anhydride; tetra-(n-butyl)ammonium iodide; potassium carbonate; toluene-4-sulfonic acid; acetic acid; trifluoroacetic acid; sodium nitrite; In tetrahydrofuran; ethanol; chloroform; N,N-dimethyl-formamide; toluene; acetonitrile;

DOI:10.1021/jm049787k

Reference yield:

3-[4-(1-methylethyl)phenyl]-1-methylurea (34123-57-4) → 3-(2-chloro-4-isopropyl-phenyl)-8-ethyl-1-methyl-1,2,3,7-tetrahydro-purin-6-one (756481-49-9)

Guidance literature:

Multi-step reaction with 9 steps

1.1: N-chlorosuccinimide / acetonitrile / 90 °C

2.1: acetic anhydride / 85 °C

2.2: 20 percent NaOH / 70 °C

3.1: aq. NaNO₂; acetic acid / 50 - 75 °C

4.1: aq. NH₄OH; Na₂S₂O₄ / 50 °C

5.1: ethanol / Heating

6.1: K₂CO₃; Bu₄NI / dimethylformamide / 45 °C

7.1: 50 percent / LiAlH₄ / tetrahydrofuran / 1.25 h / 0 °C

8.1: p-TsOH*H₂O / toluene / Heating

9.1: trifluoroacetic acid / CHCl₃ / 80 °C

With ammonium hydroxide; N-chloro-succinimide; lithium aluminium tetrahydride; sodium dithionite; acetic anhydride; tetra-(n-butyl)ammonium iodide; potassium carbonate; toluene-4-sulfonic acid; acetic acid; trifluoroacetic acid; sodium nitrite; In tetrahydrofuran; ethanol; chloroform; N,N-dimethyl-formamide; toluene; acetonitrile;

DOI:10.1021/jm049787k

Reference yield:

1-(2-chloro-4-isopropyl-phenyl)-3-methyl-urea (756481-34-2) → 3-(2-chloro-4-isopropyl-phenyl)-8-ethyl-1-methyl-1,2,3,7-tetrahydro-purin-6-one (756481-49-9)

Guidance literature:

Multi-step reaction with 8 steps

1.1: acetic anhydride / 85 °C

1.2: 20 percent NaOH / 70 °C

2.1: aq. NaNO₂; acetic acid / 50 - 75 °C

3.1: aq. NH₄OH; Na₂S₂O₄ / 50 °C

4.1: ethanol / Heating

5.1: K₂CO₃; Bu₄NI / dimethylformamide / 45 °C

6.1: 50 percent / LiAlH₄ / tetrahydrofuran / 1.25 h / 0 °C

7.1: p-TsOH*H₂O / toluene / Heating

8.1: trifluoroacetic acid / CHCl₃ / 80 °C

With ammonium hydroxide; lithium aluminium tetrahydride; sodium dithionite; acetic anhydride; tetra-(n-butyl)ammonium iodide; potassium carbonate; toluene-4-sulfonic acid; acetic acid; trifluoroacetic acid; sodium nitrite; In tetrahydrofuran; ethanol; chloroform; N,N-dimethyl-formamide; toluene;

DOI:10.1021/jm049787k

upstream raw materials:

4-isopropylphenylisocyanate

3-[4-(1-methylethyl)phenyl]-1-methylurea

1-(2-chloro-4-isopropyl-phenyl)-3-methyl-urea

6-amino-1-(2-chloro-4-isopropyl-phenyl)-3-methyl-1H-pyrimidine-2,4-dione