2-Quinoxalinecarboxylic acid,4,5,6,7,8-hexahydro-4-methyl-3-[[(phenylamino)carbonyl]imino]-, methyl ester

Base Information

• Chemical Name: 2-Quinoxalinecarboxylic acid,4,5,6,7,8-hexahydro-4-methyl-3-[[(phenylamino)carbonyl]imino]-, methyl ester
• CAS No.: 61369-38-8
• Molecular Formula: C18H20 N4 O3
• Molecular Weight: 340.3764
• NSC Number: 288382

Synonyms:NSC288382;61369-38-8;NSC-288382;2-Quinoxalinecarboxylic acid,4,5,6,7,8-hexahydro-4-methyl-3-[[(phenylamino)carbonyl]imino]-, methyl ester

Chemical Property of 2-Quinoxalinecarboxylic acid,4,5,6,7,8-hexahydro-4-methyl-3-[[(phenylamino)carbonyl]imino]-, methyl ester

Chemical Property:

• Density: 1.3g/cm³
• XLogP3: 2.2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 340.15354051
• Heavy Atom Count: 25
• Complexity: 645

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CN1C2=C(CCCC2)N=C(C1=NC(=O)NC3=CC=CC=C3)C(=O)OC
• Isomeric SMILES: CN\1C2=C(CCCC2)N=C(/C1=N\C(=O)NC3=CC=CC=C3)C(=O)OC

Technology Process of 2-Quinoxalinecarboxylic acid,4,5,6,7,8-hexahydro-4-methyl-3-[[(phenylamino)carbonyl]imino]-, methyl ester

There total 4 articles about 2-Quinoxalinecarboxylic acid,4,5,6,7,8-hexahydro-4-methyl-3-[[(phenylamino)carbonyl]imino]-, methyl 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: 65.0%

phenyl isocyanate (103-71-9) + 3-amino-4-methyl-4,6,7,8-tetrahydro-quinoxaline-2-carboxylic acid methyl ester (61369-36-6) → (methyl-1-phenylcarbamoyl)imino-2-hexahydro-1,2,5,6,7,8-quinoxalinecarboxylate-3 de methyle (61369-38-8)

Guidance literature:

In chloroform; at 20 ℃; for 24h;

Reference yield: 65.0%

phenyl isocyanate (103-71-9) + 3-amino-4-methyl-4,6,7,8-tetrahydro-quinoxaline-2-carboxylic acid methyl ester (61369-36-6) → 4-methyl-3-(phenylcarbamoyl-imino)-3,4,5,6,7,8-hexahydro-quinoxaline-2-carboxylic acid methyl ester (61369-38-8)

Guidance literature:

Reference yield:

4-cyclohexen-1-ylmorpholine (670-80-4) → 4-methyl-3-(phenylcarbamoyl-imino)-3,4,5,6,7,8-hexahydro-quinoxaline-2-carboxylic acid methyl ester (61369-38-8)

Guidance literature:

Multi-step reaction with 2 steps

2: 65 percent

upstream raw materials:

phenyl isocyanate

3-amino-4-methyl-4,6,7,8-tetrahydro-quinoxaline-2-carboxylic acid methyl ester

4-cyclohexen-1-ylmorpholine

Downstream raw materials:

methyl-10-phenyl-3-tetrahydro-6,7,8,9-iso-alloxazine

methyl-10-phenyl-3-iso-alloxazine

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