3-[(Aminoiminomethyl)amino]-4-methylbenzoic acid ethyl ester mononitrate

Base Information

• Chemical Name: 3-[(Aminoiminomethyl)amino]-4-methylbenzoic acid ethyl ester mononitrate
• CAS No.: 641569-96-2
• Molecular Formula: C11H15N3O2.HNO3
• Molecular Weight: 284.272
• Hs Code.: 2925290090
• Mol file: 641569-96-2.mol

Synonyms:ethyl 3-(diaminomethylideneamino)-4-methylbenzoate,nitric acid;

Chemical Property of 3-[(Aminoiminomethyl)amino]-4-methylbenzoic acid ethyl ester mononitrate

Chemical Property:

• Melting Point: 197.0 to 201.0 °C
• PSA: 154.25000
• LogP: 2.52560
• Storage Temp.: Sealed in dry,Room Temperature

Purity/Quality:

99% ^*data from raw suppliers

Ethyl 3-Carbamimidoylamino-4-methylbenzoate Nitrate >97.0%(HPLC)(T) ^*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 ethyl ester mononitrate

There total 7 articles about 3-[(Aminoiminomethyl)amino]-4-methylbenzoic acid ethyl 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-methylbenzoic acid ethyl ester (41191-92-8) → 3-guanidino-4-methylbenzoic acid ethyl ester nitrate (641569-96-2)

Guidance literature:

CYANAMID; 3-amino-4-methylbenzoic acid ethyl ester; With hydrogenchloride; In ethanol; at 90 ℃; for 15.25h;

With ammonium nitrate; In water; at 5 - 10 ℃; for 1h;

Reference yield:

3-amino-p-toluic acid (2458-12-0) → 3-guanidino-4-methylbenzoic acid ethyl ester nitrate (641569-96-2)

Guidance literature:

Multi-step reaction with 3 steps

1: sulfuric acid / 12 h / Reflux; Inert atmosphere

2: hydrogenchloride / ethanol; water / 15 h / Reflux

3: ammonium nitrate / 0.5 h / 0 °C

With ammonium nitrate; hydrogenchloride; sulfuric acid; In ethanol; water;

DOI:10.1111/cbdd.12272

Reference yield:

3-amino-4-methylbenzoic acid ethyl ester (41191-92-8) → 3-guanidino-4-methylbenzoic acid ethyl ester nitrate (641569-96-2)

Guidance literature:

Multi-step reaction with 2 steps

1: hydrogenchloride / ethanol; water / 15 h / Reflux

2: ammonium nitrate / 0.5 h / 0 °C

With ammonium nitrate; hydrogenchloride; In ethanol; water;

DOI:10.1111/cbdd.12272

upstream raw materials:

CYANAMID

3-amino-4-methylbenzoic acid ethyl ester

3-amino-p-toluic acid

C₁₁H₁₅N₃O₂

Downstream raw materials:

N-(3-bromo-5-(trifluoromethyl)phenyl)-4-methyl-3-((4-(pyridin-3-yl)pyrimidin-2-yl)amino)benzamide

Refernces

• 1、 Pan, Xiaoyan,Dong, Jinyun,Gao, Hongping,Wang, Fang,Zhang, Yanmin,Wang, Sicen,Zhang, Jie. "Design, synthesis and biological evaluation of pyridin-3-yl pyrimidines as potent Bcr-Abl inhibitors". . p. 592 - 599. Retrieved 2014/05/06.
• 2、 -. "INHIBITORS OF TYROSINE KINASES". Page 37. . Retrieved 2008/06/13.