(4-Amino-3-nitrophenyl)methanol

Base Information

• Chemical Name: (4-Amino-3-nitrophenyl)methanol
• CAS No.: 63189-97-9
• Molecular Formula: C7H8N2O3
• Molecular Weight: 168.152
• DSSTox Substance ID: DTXSID60512593
• Nikkaji Number: J2.274.857B
• Wikidata: Q82371917
• Mol file: 63189-97-9.mol

Synonyms:(4-amino-3-nitrophenyl)methanol;63189-97-9;Benzenemethanol, 4-amino-3-nitro-;4-amino-3-nitrobenzyl alcohol;SCHEMBL4588943;DTXSID60512593;YOROYHPRNGLSAT-UHFFFAOYSA-N;AKOS011475506;CS-0112771;G10904

Chemical Property of (4-Amino-3-nitrophenyl)methanol

Chemical Property:

• PSA: 92.07000
• LogP: 1.77370
• XLogP3: 0.7
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 1
• Exact Mass: 168.05349212
• Heavy Atom Count: 12
• Complexity: 169

Purity/Quality:

98% ^*data from raw suppliers

(4-Amino-3-nitrophenyl)methanol ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=C(C=C1CO)[N+](=O)[O-])N

Technology Process of (4-Amino-3-nitrophenyl)methanol

There total 12 articles about (4-Amino-3-nitrophenyl)methanol 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: 98.0%

methyl 4-amino-3-nitrobenzoate (3987-92-6) → (4-amino-3-nitrophenyl)methanol (63189-97-9)

Guidance literature:

With diisobutylaluminium hydride; In tetrahydrofuran; dichloromethane; at 0 - 20 ℃;

DOI:10.1021/jm400634n

Reference yield: 81.0%

4-(hydroxymethyl)-2-nitroacetanilide (73166-06-0) → (4-amino-3-nitrophenyl)methanol (63189-97-9)

Guidance literature:

With sodium hydroxide; In methanol; for 0.5h; Ambient temperature;

Reference yield: 72.0%

4-chloro-3-nitrobenzyl alcohol (55912-20-4) → (4-amino-3-nitrophenyl)methanol (63189-97-9)

Guidance literature:

With ammonia; In methanol; at 160 ℃; for 16h; under 31029.7 Torr;

upstream raw materials:

4-(hydroxymethyl)-2-nitroacetanilide

methyl 4-acetamidobenzoate

4-acetamido-3-nitro-benzoic acid methyl ester

p-(acetylamino)benzoic acid

Downstream raw materials:

4-methyl-1,2-diaminobenzene

1,2-diamino-4-hydroxymethylbenzene

5-(hydroxymethyl)-2-mercapto-1H-benzimidazole

4-{[(tert-butyldimethylsilyl)oxy]methyl}-2-nitroaniline