2-((4-Methyl-2-nitrophenyl)amino)ethanol

Base Information

• Chemical Name: 2-((4-Methyl-2-nitrophenyl)amino)ethanol
• CAS No.: 100418-33-5
• Molecular Formula: C9H12N2O3
• Molecular Weight: 196.206
• Hs Code.: 2922199090
• European Community (EC) Number: 408-090-7,620-681-3
• UNII: KL22OLP94K
• DSSTox Substance ID: DTXSID20143261
• Wikidata: Q27282317
• Mol file: 100418-33-5.mol

Synonyms:100418-33-5;2-((4-Methyl-2-nitrophenyl)amino)ethanol;2-(4-Methyl-2-nitrophenylamino)ethanol;Hydroxyethyl-2-nitro-p-toluidine;N-(2-Hydroxyethyl) 4-methyl-2-nitroaniline;2-(4-methyl-2-nitroanilino)ethanol;4-(2-Hydroxyethylamino)-3-nitrotoluene;N-(beta-Hydroxyethyl)-2-nitro-p-toluidine;Ethanol, 2-[(4-methyl-2-nitrophenyl)amino]-;UNII-KL22OLP94K;KL22OLP94K;Ethanol, 2-((4-methyl-2-nitrophenyl)amino)-;4-((2-Hydroxyethyl)amino)-3-nitro-1-methylbenzene;EC 408-090-7;2-[(4-METHYL-2-NITROPHENYL)AMINO]ETHANOL;2-[(4-methyl-2-nitro-phenyl)amino]ethanol;SCHEMBL24076;DTXSID20143261;MFCD00274758;AKOS009357247;AC-8184;AS-13568;CS-0208760;FT-0657111;HYDROXYETHYL-2-NITRO-P-TOLUIDINE [INCI];A800198;J-506061;Q27282317;2-[(4-Methyl-2-nitrophenyl)amino]ethanol;4-[(2-Hydroxyethyl)amino]-3-nitro-1-methylbenzene

Chemical Property of 2-((4-Methyl-2-nitrophenyl)amino)ethanol

Chemical Property:

• Appearance/Colour: Orange powder
• Vapor Pressure: 0mmHg at 25°C
• Melting Point: 60-61 °C
• Refractive Index: 1.625
• Boiling Point: 385.373 °C at 760 mmHg
• PKA: 14.62±0.10(Predicted)
• Flash Point: 186.867 °C
• PSA: 78.08000
• Density: 1.299 g/cm³
• LogP: 1.90360
• Storage Temp.: 2-8°C
• Solubility.: Chloroform (Slightly), Ethyl Acetate (Slightly), Methanol (Slightly)
• Water Solubility.: 350mg/L at 20℃
• XLogP3: 1.6
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 196.08479225
• Heavy Atom Count: 14
• Complexity: 193

Purity/Quality:

99% ^*data from raw suppliers

N-(2-Hydroxyethyl)4-Methyl-2-nitroaniline ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xn
• Hazard Codes: Xn
• Statements: 22-43-52/53
• Safety Statements: 36/37-61

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC(=C(C=C1)NCCO)[N+](=O)[O-]
• Uses: N-(2-Hydroxyethyl) 4-Methyl-2-nitroaniline is a useful compound for dyeing keratin material. Used in hair dye composition.

Technology Process of 2-((4-Methyl-2-nitrophenyl)amino)ethanol

There total 3 articles about 2-((4-Methyl-2-nitrophenyl)amino)ethanol 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: 75.0%

ethanolamine (141-43-5) + 1-chloro-4-methyl-2-nitro-benzene (89-60-1) → 4-[(2'-hydroxyethyl)amino]-3-nitro-1-methylbenzene (100418-33-5)

Guidance literature:

for 2h; Heating;

DOI:10.1021/jm0700870

Reference yield: 75.0%

4-Bromo-3-nitrotoluene (5326-34-1) + ethanolamine (141-43-5) → 4-[(2'-hydroxyethyl)amino]-3-nitro-1-methylbenzene (100418-33-5)

Guidance literature:

for 2h; Heating;

DOI:10.1016/j.bmc.2004.10.016

Reference yield:

Acetic acid 2-(acetyl-p-tolyl-amino)-ethyl ester (28358-82-9) → 4-[(2'-hydroxyethyl)amino]-3-nitro-1-methylbenzene (100418-33-5)

Guidance literature:

With nitric acid; acetic anhydride; und Behandeln des danach isolierten Reaktionsprodukts mit methanol.Natronlauge;

upstream raw materials:

Acetic acid 2-(acetyl-p-tolyl-amino)-ethyl ester

4-Bromo-3-nitrotoluene

ethanolamine

1-chloro-4-methyl-2-nitro-benzene

Downstream raw materials:

3-acetamido-4-(N-acetyl-2-acetoxyethylamino)toluene

2-(2-hydroxyethylamino)-5-methylaniline

2-imino-3-(2'-amino-4'-methylphenyl)-thiazolidine dihydrochloride

4-methyl-2-nitro-N-(2-thiocyanatoethyl)-aniline

Refernces

• 1、 LaBarbera, Daniel V.,Skibo, Edward B.. "Synthesis of imidazo[1,5,4-de]quinoxalin-9-ones, benzimidazole analogues of pyrroloiminoquinone marine natural products". . p. 387 - 395. Retrieved 2007/10/03.