2,2-Bis(4-hydroxy-3-nitrophenyl)propane

Base Information

• Chemical Name: 2,2-Bis(4-hydroxy-3-nitrophenyl)propane
• CAS No.: 5329-21-5
• Molecular Formula: C15H14 N2 O6
• Molecular Weight: 318.286
• NSC Number: 1881
• UNII: SUB3DJ24JL
• DSSTox Substance ID: DTXSID40277355
• Nikkaji Number: J802.078G
• Wikipedia: Dinitrobisphenol_A
• Wikidata: Q19903954
• ChEMBL ID: CHEMBL1704162
• Mol file: 5329-21-5.mol

Synonyms:3,3'-dinitrobisphenol A

Chemical Property of 2,2-Bis(4-hydroxy-3-nitrophenyl)propane

Chemical Property:

• XLogP3: 4.8
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 2
• Exact Mass: 318.08518617
• Heavy Atom Count: 23
• Complexity: 418

Purity/Quality:

99%min ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)(C1=CC(=C(C=C1)O)[N+](=O)[O-])C2=CC(=C(C=C2)O)[N+](=O)[O-]

Technology Process of 2,2-Bis(4-hydroxy-3-nitrophenyl)propane

There total 4 articles about 2,2-Bis(4-hydroxy-3-nitrophenyl)propane 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: 94.0%

BPA (80-05-7) → 4,4′-(1-methylethylidene)bis[2-nitrophenol] (5329-21-5)

Guidance literature:

With nitric acid; acetic acid; In toluene; at 0 - 5 ℃; for 1h;

DOI:10.1016/j.reactfunctpolym.2018.03.013

Reference yield:

BPA (80-05-7) → 4,4′-(1-methylethylidene)bis[2-nitrophenol] (5329-21-5) + 3-nitro bisphenol A (233756-97-3)

Guidance literature:

With diethylenetriaminopentaacetic acid; carbon dioxide; sodium hydrogencarbonate; In aq. phosphate buffer; at 25 ℃; pH=7;

DOI:10.1016/j.bbrc.2012.08.065

Reference yield:

BPA (80-05-7) + nitric acid (7697-37-2,78989-43-2) + acetic acid (64-19-7,77671-22-8) → 4,4′-(1-methylethylidene)bis[2-nitrophenol] (5329-21-5)

Guidance literature:

upstream raw materials:

BPA

nitric acid

acetic acid

Downstream raw materials:

2,2'-bis-acetylamino-4,4'-isopropylidene-di-phenol

2-(3-Amino-4-hydroxyphenyl)-2-(4-hydroxy-3-nitrophenyl)-propan

4,4′-(1-methylethylidene)bis[2-aminophenol]

Refernces

• 1、 Díez, Blanca,Cuadrado, Purificación,Marcos-Fernández, ángel,de la Campa, José G.,Tena, Alberto,Prádanos, Pedro,Palacio, Laura,Lee, Young Moo,Alvarez, Cristina,Lozano, ángel E.,Hernández, Antonio. "Thermally rearranged polybenzoxazoles made from poly(ortho-hydroxyamide)s. Characterization and evaluation as gas separation membranes". . p. 38 - 47. Retrieved 2018/04/14.
• 2、 Babu, Sainath,Kasibotla, Agasthya V.,Uppu, Rao M.,Vellore, Nadeem A.,Dwayne, Harlan J.,Stubblefield, Michael A.. "Molecular docking of bisphenol A and its nitrated and chlorinated metabolites onto human estrogen-related receptor-gamma". . p. 215 - 220,6. Retrieved 2020/08/20.