6-chloro-5-(ethylamino)-N-[(1-ethylpyrrolidin-2-yl)methyl]-3-methoxypyrazine-2-carboxamide

Base Information

• Chemical Name: 6-chloro-5-(ethylamino)-N-[(1-ethylpyrrolidin-2-yl)methyl]-3-methoxypyrazine-2-carboxamide
• CAS No.: 57796-25-5
• Molecular Formula: C₁₅H₂₄ClN₅O₂
• Molecular Weight: 341.841
• DSSTox Substance ID: DTXSID30580042
• Nikkaji Number: J395.398J
• Mol file: 57796-25-5.mol

Synonyms:57796-25-5;SCHEMBL11730910;DTXSID30580042;YAU-125;LKKUPGOLHLUYNV-UHFFFAOYSA-N;6-chloro-5-(ethylamino)-N-[(1-ethylpyrrolidin-2-yl)methyl]-3-methoxypyrazine-2-carboxamide;PD160048;N-(1-ethylpyrrolidin-2-ylmethyl)-6-chloro-5-ethylamino-3-methoxypyrazine-2-carboxamide

Chemical Property of 6-chloro-5-(ethylamino)-N-[(1-ethylpyrrolidin-2-yl)methyl]-3-methoxypyrazine-2-carboxamide

Chemical Property:

• Boiling Point: 455.5±45.0 °C(Predicted)
• PKA: 12.29±0.46(Predicted)
• PSA: 79.38000
• Density: 1.214±0.06 g/cm3(Predicted)
• LogP: 2.18630
• XLogP3: 2.3
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 7
• Exact Mass: 341.1618527
• Heavy Atom Count: 23
• Complexity: 387

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CCNC1=NC(=C(N=C1Cl)C(=O)NCC2CCCN2CC)OC

Technology Process of 6-chloro-5-(ethylamino)-N-[(1-ethylpyrrolidin-2-yl)methyl]-3-methoxypyrazine-2-carboxamide

There total 3 articles about 6-chloro-5-(ethylamino)-N-[(1-ethylpyrrolidin-2-yl)methyl]-3-methoxypyrazine-2-carboxamide 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:

1-ethyl-2-pyrrolidinemethanamine (26116-12-1) + pyrographite (7440-44-0) + 6-chloro-5-ethylamino-3-methoxy-pyrazine-2-carboxylic acid (57796-33-5) → 6-chloro-5-ethylamino-3-methoxy-pyrazine-2-carboxylic acid (1-ethyl-pyrrolidin-2-ylmethyl)-amide (57796-25-5)

Guidance literature:

With pyridine; sodium hydroxide; anhydrous phosphorus trichloride; sodium hydrogencarbonate; In water;

Reference yield:

1-ethyl-2-pyrrolidinemethanamine (26116-12-1) + 6-chloro-5-ethylamino-3-methoxy-pyrazine-2-carboxylic acid methyl ester (57796-14-2) → 6-chloro-5-ethylamino-3-methoxy-pyrazine-2-carboxylic acid (1-ethyl-pyrrolidin-2-ylmethyl)-amide (57796-25-5)

Guidance literature:

In hydrogenchloride; methanol; chloroform; toluene;

Reference yield:

→ 6-chloro-5-ethylamino-3-methoxy-pyrazine-2-carboxylic acid (1-ethyl-pyrrolidin-2-ylmethyl)-amide (57796-25-5)

Guidance literature:

Ester (E-6), 2-Aminomethyl-1-ethyl-pyrrolidin;

upstream raw materials:

1-ethyl-2-pyrrolidinemethanamine

pyrographite

6-chloro-5-ethylamino-3-methoxy-pyrazine-2-carboxylic acid

6-chloro-5-ethylamino-3-methoxy-pyrazine-2-carboxylic acid methyl ester

Downstream raw materials:

6-benzylsulfanyl-5-ethylamino-3-methoxy-pyrazine-2-carboxylic acid (1-ethyl-pyrrolidin-2-ylmethyl)-amide

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