(2-Methyl-5-nitrophenyl)guanidine nitrate

Base Information

• Chemical Name: (2-Methyl-5-nitrophenyl)guanidine nitrate
• CAS No.: 152460-08-7
• Molecular Formula: C₈H₁₀N₄O₂*(x)HNO₃
• Molecular Weight: 257.2
• Hs Code.: 2925290090
• European Community (EC) Number: 604-857-7
• UNII: L8E7R6V5T4
• DSSTox Substance ID: DTXSID40468100
• Mol file: 152460-08-7.mol

Synonyms:152460-08-7;1-(2-Methyl-5-nitrophenyl)guanidine nitrate;(2-Methyl-5-nitrophenyl)guanidine nitrate;3-Nitro-6-methylphenylguanidine Nitrate;2-(2-methyl-5-nitrophenyl)guanidine;nitric acid;N-(2-Methyl-5-nitrophenyl)guanidine nitrate;Guanidine, (2-methyl-5-nitrophenyl)-, mononitrate;2-methyl-5-nitrophenylguanidine nitrate;MFCD09842424;C8H11N5O5;5-Nitro-2-methylphenylguanidine Nitrate;(2-Methyl-5-nitrophenyl)guanidinenitrate;SCHEMBL1717;L8E7R6V5T4;DTXSID40468100;IINMQQJNRFDBMV-UHFFFAOYSA-N;AKOS015889946;AC-6914;2-methyl-5-nitrophenyl guanidine nitrate;2-methyl-5-nitrophenyl-guanidine nitrate;SY060421;1-(2-Methyl-5-nitrophenyl)guanidinenitrate;AM20030036;CS-0153573;FT-0657530;M2613;NS00024966;1-(2-methyl-5-nitrophenyl) guanidine nitrate;J-500863;n-(2-methyl-5-nitro-phenyl)-guanidine nitric acid salt;Guanidine, N-(2-methyl-5-nitrophenyl)-, nitrate (1:1);N-(2-Methyl-5-nitrophenyl)guanidine Nitrate;Guanidine, (2-methyl-5-nitrophenyl)-, mononitrate (9CI);1-(2-Methyl-5-nitrophenyl)guanidine Nitrate

Chemical Property of (2-Methyl-5-nitrophenyl)guanidine nitrate

Chemical Property:

• Appearance/Colour: Off-white solid
• Vapor Pressure: 1.73E-07mmHg at 25°C
• Melting Point: 218-219 °C
• Boiling Point: 426.7 °C at 760 mmHg
• Flash Point: 211.9 °C
• PSA: 176.60000
• LogP: 2.88890
• Storage Temp.: under inert gas (nitrogen or Argon) at 2-8°C
• Solubility.: Water
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 1
• Exact Mass: 257.07601847
• Heavy Atom Count: 18
• Complexity: 269

Purity/Quality:

99% ^*data from raw suppliers

3-Nitro-6-methylphenylguanidine nitrate ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=C(C=C(C=C1)[N+](=O)[O-])N=C(N)N.[N+](=O)(O)[O-]
• Uses: (2-Methyl-5-nitrophenyl)guanidine nitrate can be used in therapeutic for benign prostatic hyperplasia (2-Methyl-5-nitrophenyl)guanidine nitrate can be used for the preparation of N-(pyridylpyrimidinylaminophenyl) amides as protein kinase inhibitors.

Technology Process of (2-Methyl-5-nitrophenyl)guanidine nitrate

There total 5 articles about (2-Methyl-5-nitrophenyl)guanidine nitrate 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: 92.0%

CYANAMID (420-04-2) + 2-methyl-5-nitroaniline (99-55-8) → 1-(2-methyl-5-nitrophenyl)guanidine nitrate (152460-08-7)

Guidance literature:

2-methyl-5-nitroaniline; With nitric acid; In ethanol; at 0 ℃;

CYANAMID; In water; pH=Ca. 3; Reflux;

DOI:10.1134/S1070428011080173

Reference yield: 80.0%

CYANAMID (420-04-2) + nitric acid (7697-37-2,78989-43-2) + 2-methyl-5-nitroaniline (99-55-8) → 1-(2-methyl-5-nitrophenyl)guanidine nitrate (152460-08-7)

Guidance literature:

CYANAMID; 2-methyl-5-nitroaniline; With hydrogenchloride; In ethanol; at 80 ℃; for 4h;

nitric acid; In water;

DOI:10.1039/c4dt01516a

Reference yield:

CYANAMID (420-04-2) + 2-methyl-5-nitroaniline (99-55-8) → (2-methyl-5-nitrophenyl)guanidine nitrate (152460-08-7)

Guidance literature:

2-methyl-5-nitroaniline; With nitric acid; In ethanol;

CYANAMID; In ethanol; water; for 25h; Reflux;

upstream raw materials:

CYANAMID

2-methyl-5-nitroaniline

nitric acid

o-toluidine

Downstream raw materials:

STLL₃

imatinib mesylate

SKI₆₉₆

STI-OH

Refernces

• 1、 Arango-Daravi?a, Kevin,Kennedy, Alan R.,Moreno-Fuquen, Rodolfo. "Synthesis, spectroscopic characterization, structural studies, thermal analysis and molecular docking of N-(2-methyl-5-nitrophenyl)-4-(pyridin-2-yl)pyrimidin-2-amine, a precursor for drug design against chronic myeloid leukemia". . p. 621 - 632. Retrieved 2021/10/12.
• 2、 Kinigopoulou,Filippidou,Gogou,Giannousi,Fouka,Ntemou,Alivertis,Georgis,Brentas,Polychronidou,Voulgari,Theodorou,Skobridis. "An optimized approach in the synthesis of imatinib intermediates and analogues". . p. 61458 - 61467. Retrieved 2016/07/12.