3-[(aMinoiMinoMethyl)aMino]-4-Methylbenzoic acid Methyl ester Mononitrate

Base Information

• Chemical Name: 3-[(aMinoiMinoMethyl)aMino]-4-Methylbenzoic acid Methyl ester Mononitrate
• CAS No.: 1025716-99-7
• Molecular Formula: C10H14N4O5
• Molecular Weight: 270.245
• Mol file: 1025716-99-7.mol

Synonyms:Methyl 3-guanidino-4-methyl-benzoate; nitric acid;

Chemical Property of 3-[(aMinoiMinoMethyl)aMino]-4-Methylbenzoic acid Methyl ester Mononitrate

Chemical Property:

• PSA: 154.25000
• LogP: 2.13550

Purity/Quality:

98%,99%, ^*data from raw suppliers

Methyl3-guanidino-4-methylbenzoatenitrate 97% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

Technology Process of 3-[(aMinoiMinoMethyl)aMino]-4-Methylbenzoic acid Methyl ester Mononitrate

There total 1 articles about 3-[(aMinoiMinoMethyl)aMino]-4-Methylbenzoic acid Methyl ester Mononitrate 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:

CYANAMID (420-04-2) + 3-amino-4-methyl benzoic acid methyl ester (18595-18-1) → 3-[(aminoiminomethyl)amino]-4-methylbenzoic acid methylester mononitrate (1025716-99-7)

Guidance literature:

With water; nitric acid; butan-1-ol; for 16h; Heating / reflux;

Reference yield:

3-[(aminoiminomethyl)amino]-4-methylbenzoic acid methylester mononitrate (1025716-99-7) + 3-(N,N-dimethylamino)-1-(pyridin-3-yl)prop-2-en-1-one (55314-16-4,75415-01-9,123367-26-0) → 4-methyl-3-{[4-(pyridin-3-yl)pyrimidin-2-yl]amino}benzoic acid (641569-94-0)

Guidance literature:

3-[(aminoiminomethyl)amino]-4-methylbenzoic acid methylester mononitrate; 3-(N,N-dimethylamino)-1-(pyridin-3-yl)prop-2-en-1-one; With sodium hydroxide; In butan-1-ol; for 12h; Inert atmosphere; Reflux;

With water; sodium hydroxide; In butan-1-ol; at 25 - 125 ℃; for 0.333333h;

With hydrogenchloride; In water; butan-1-ol; at 25 - 35 ℃; for 1h;

Reference yield:

3-[(aminoiminomethyl)amino]-4-methylbenzoic acid methylester mononitrate (1025716-99-7) → 4-methyl-3-{[4-(pyridin-3-yl)pyrimidin-2-yl]amino}benzoic acid (641569-94-0)

Guidance literature:

Multi-step reaction with 2 steps

1.1: sodium hydroxide / butan-1-ol / 12 h / Heating / reflux

2.1: sodium hydroxide; water; butan-1-ol / 0.5 h / Heating / reflux

2.2: 20 °C

With sodium hydroxide; water; butan-1-ol; In butan-1-ol;

upstream raw materials:

CYANAMID

3-amino-4-methyl benzoic acid methyl ester

Downstream raw materials:

methyl 4-methyl-3 -[[4-(pyridin-3-yl)pyrimidin-2-yl]amino]benzoate

4-methyl-3-{[4-(pyridin-3-yl)pyrimidin-2-yl]amino}benzoic acid

nilotinib

4-methyl-3-[[4-(3-pyridinyl)-2-pyrimidinyl]amino]-N-[5-(4-methyl-1H-imidazol-1-yl)-3-(trifluoromethyl)phenyl]benzamide hydrochloride

Refernces

• 1、 -. "COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS". Page/Page column 31. . Retrieved 2008/12/05.
• 2、 -. "PYRIMIDINE DERIVATIVES AND COMPOSITIONS AS C-KIT AND PDGFR KINASE INHIBITORS". Page/Page column 25; 26. . Retrieved 2009/01/20.