C₁₃H₁₆ClN₃O

Base Information

• Chemical Name: C₁₃H₁₆ClN₃O
• CAS No.: 1608506-74-6
• Molecular Formula: C₁₃H₁₆ClN₃O
• Molecular Weight: 265.743
• Mol file: 1608506-74-6.mol

Synonyms:C₁₃H₁₆ClN₃O

Chemical Property of C₁₃H₁₆ClN₃O

Chemical Property:

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

Technology Process of C₁₃H₁₆ClN₃O

There total 7 articles about C₁₃H₁₆ClN₃O 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:

C13H17N3O2 (1608506-64-4) → C13H16ClN3O (1608506-74-6)

Guidance literature:

With oxalyl dichloride; In dichloromethane; at 20 ℃; for 1h; Inert atmosphere;

DOI:10.1021/ol501058a

Reference yield:

(2-cyano-ethyl)-phenethyl-malonic acid diethyl ester (127983-02-2) → C13H16ClN3O (1608506-74-6)

Guidance literature:

Multi-step reaction with 6 steps

1: lithium chloride / dimethyl sulfoxide / 4 h / 140 °C / Inert atmosphere

2: lithium chloride; potassium borohydride / tetrahydrofuran / 24 h / Inert atmosphere; Reflux

3: triethylamine; dmap / dichloromethane / 24 h / 20 °C / Inert atmosphere

4: sodium azide; tetra-(n-butyl)ammonium iodide / N,N-dimethyl-formamide / 6 h / 40 °C / Inert atmosphere

5: sodium hydroxide; water / ethanol / 4 h / 85 °C / Inert atmosphere

6: oxalyl dichloride / dichloromethane / 1 h / 20 °C / Inert atmosphere

With dmap; sodium azide; potassium borohydride; oxalyl dichloride; water; tetra-(n-butyl)ammonium iodide; triethylamine; lithium chloride; sodium hydroxide; In tetrahydrofuran; ethanol; dichloromethane; dimethyl sulfoxide; N,N-dimethyl-formamide;

DOI:10.1021/ol501058a

Reference yield:

ethyl 2-(ethoxycarbonyl)-4-phenylbutanoate (6628-68-8) → C13H16ClN3O (1608506-74-6)

Guidance literature:

Multi-step reaction with 7 steps

1.1: sodium hydride / mineral oil; dimethyl sulfoxide; tetrahydrofuran / 1 h / 20 °C / Inert atmosphere

1.2: 60 h / Inert atmosphere

2.1: lithium chloride / dimethyl sulfoxide / 4 h / 140 °C / Inert atmosphere

3.1: lithium chloride; potassium borohydride / tetrahydrofuran / 24 h / Inert atmosphere; Reflux

4.1: triethylamine; dmap / dichloromethane / 24 h / 20 °C / Inert atmosphere

5.1: sodium azide; tetra-(n-butyl)ammonium iodide / N,N-dimethyl-formamide / 6 h / 40 °C / Inert atmosphere

6.1: sodium hydroxide; water / ethanol / 4 h / 85 °C / Inert atmosphere

7.1: oxalyl dichloride / dichloromethane / 1 h / 20 °C / Inert atmosphere

With dmap; sodium azide; potassium borohydride; oxalyl dichloride; water; tetra-(n-butyl)ammonium iodide; sodium hydride; triethylamine; lithium chloride; sodium hydroxide; In tetrahydrofuran; ethanol; dichloromethane; dimethyl sulfoxide; N,N-dimethyl-formamide; mineral oil;

DOI:10.1021/ol501058a

upstream raw materials:

(2-cyano-ethyl)-phenethyl-malonic acid diethyl ester

ethyl 2-(ethoxycarbonyl)-4-phenylbutanoate

C₁₅H₁₉NO₂

C₁₃H₁₇NO