C₂₉⁽¹⁴⁾CH₃₀FN₅O₆

Base Information

• Chemical Name: C₂₉⁽¹⁴⁾CH₃₀FN₅O₆
• CAS No.: 1316667-72-7
• Molecular Formula: C₃₀H₃₀FN₅O₆
• Molecular Weight: 577.586
• Mol file: 1316667-72-7.mol

Synonyms:C₂₉⁽¹⁴⁾CH₃₀FN₅O₆

Chemical Property of C₂₉⁽¹⁴⁾CH₃₀FN₅O₆

Chemical Property:

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

Technology Process of C₂₉⁽¹⁴⁾CH₃₀FN₅O₆

There total 2 articles about C₂₉⁽¹⁴⁾CH₃₀FN₅O₆ 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: 96.0%

N-Cbz-Ala (1142-20-7) + C18(14)CH19FN4O3 (1316667-69-2) → C29(14)CH30FN5O6 (1316667-72-7)

Guidance literature:

With dmap; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; In tetrahydrofuran; N,N-dimethyl-formamide; at 0 ℃; for 4.5h; Inert atmosphere;

DOI:10.1002/jlcr.1871

Reference yield:

5-carbamoyl-4-methyl-1H-pyrrole-3-carboxylic acid ethyl ester (112381-06-3) → C29(14)CH30FN5O6 (1316667-72-7)

Guidance literature:

Multi-step reaction with 10 steps

1.1: sodium hydride / N,N-dimethyl-formamide / 0.5 h / 0 - 20 °C

1.2: 25 h / 20 °C

2.1: toluene-4-sulfonic acid / N,N-dimethyl acetamide / 150 °C / Microwave irradiation

3.1: tetrahydrofuran / 6.83 h / -5 - 47 °C

4.1: methanesulfonic acid; dihydrogen peroxide / tetrahydrofuran / 2.83 h / -8 °C

4.2: 0 °C

5.1: N-ethyl-N,N-diisopropylamine / tetrahydrofuran / 3 h / 0 - 20 °C

6.1: N-ethyl-N,N-diisopropylamine; trichlorophosphate / acetonitrile / 20 h / 60 - 82 °C

7.1: 1,4-diaza-bicyclo[2.2.2]octane / acetonitrile / 1.5 h / 48 °C / Inert atmosphere

8.1: methanol; sodium methylate / acetonitrile / 1 h / 10 - 20 °C / Inert atmosphere

9.1: methanol; water; acetonitrile / 24 h / 28 °C

10.1: dmap; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride / tetrahydrofuran; N,N-dimethyl-formamide / 4.5 h / 0 °C / Inert atmosphere

With 1,4-diaza-bicyclo[2.2.2]octane; methanol; dmap; methanesulfonic acid; dihydrogen peroxide; sodium methylate; sodium hydride; toluene-4-sulfonic acid; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; N-ethyl-N,N-diisopropylamine; trichlorophosphate; In tetrahydrofuran; methanol; N,N-dimethyl acetamide; water; N,N-dimethyl-formamide; acetonitrile;

DOI:10.1002/jlcr.1871

upstream raw materials:

N-Cbz-Ala

C₁₈⁽¹⁴⁾CH₁₉FN₄O₃

5-carbamoyl-4-methyl-1H-pyrrole-3-carboxylic acid ethyl ester