(Anthracen-9-YL)methyl 4-nitrophenyl carbonate

Base Information

• Chemical Name: (Anthracen-9-YL)methyl 4-nitrophenyl carbonate
• CAS No.: 61574-52-5
• Molecular Formula: C22H15NO5
• Molecular Weight: 373.365
• Hs Code.: 2920909090
• DSSTox Substance ID: DTXSID70471223
• Nikkaji Number: J90.164D
• Wikidata: Q82299681
• Mol file: 61574-52-5.mol

Synonyms:61574-52-5;Anthracen-9-ylmethyl (4-nitrophenyl) Carbonate;(ANTHRACEN-9-YL)METHYL 4-NITROPHENYL CARBONATE;LCZC2013;SCHEMBL2397708;DTXSID70471223

Chemical Property of (Anthracen-9-YL)methyl 4-nitrophenyl carbonate

Chemical Property:

• Melting Point: 108-109 °C (decomp)
• Boiling Point: 603.8±55.0 °C(Predicted)
• PSA: 81.35000
• Density: 1.361±0.06 g/cm3(Predicted)
• LogP: 6.14000
• XLogP3: 5.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 5
• Exact Mass: 373.09502258
• Heavy Atom Count: 28
• Complexity: 532

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C2C(=C1)C=C3C=CC=CC3=C2COC(=O)OC4=CC=C(C=C4)[N+](=O)[O-]

Technology Process of (Anthracen-9-YL)methyl 4-nitrophenyl carbonate

There total 2 articles about (Anthracen-9-YL)methyl 4-nitrophenyl carbonate 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: 89.0%

9-hydroxymethylanthracene (1468-95-7) + 4-Nitrophenyl chloroformate (7693-46-1) → anthracen-9-ylmethyl (4-nitrophenyl) carbonate (61574-52-5)

Guidance literature:

4-Nitrophenyl chloroformate; With dmap; In dichloromethane; Inert atmosphere;

9-hydroxymethylanthracene; In dichloromethane; at 20 ℃; Inert atmosphere;

DOI:10.1039/c6ra06587b

Reference yield:

→ anthracen-9-ylmethyl (4-nitrophenyl) carbonate (61574-52-5)

Guidance literature:

9-Hydroxymethylanthracen, p-Nitrophenylchlorformat;

DOI:10.1021/jo00422a069

Reference yield:

anthracen-9-ylmethyl (4-nitrophenyl) carbonate (61574-52-5) → 9-hydroxymethylanthracene (1468-95-7)

Guidance literature:

Multi-step reaction with 2 steps

1: dichloromethane / 12 h / 20 °C

2: platinum(II) octaethylporphyrin; water / tetrahydrofuran / Inert atmosphere; Irradiation

With platinum(II) octaethylporphyrin; water; In tetrahydrofuran; dichloromethane;

upstream raw materials:

9-hydroxymethylanthracene

4-Nitrophenyl chloroformate

Downstream raw materials:

9-hydroxymethylanthracene

Refernces

• 1、 Vera, Silvia,Vázquez, Ana,Rodriguez, Ricardo,Pozo, Sandra Del,Urruzuno, I?aki,de Cózar, Abel,Mielgo, Antonia,Palomo, Claudio. "Synthesis of β-Hydroxy α-Amino Acids through Br?nsted Base-Catalyzed syn-Selective Direct Aldol Reaction of Schiff Bases of Glycine o-Nitroanilide". . p. 7757 - 7772. Retrieved 2021/06/21.
• 2、 Biswas, Sagar,Rasale, Dnyaneshwar B.,Das, Apurba K.. "Blue light emitting self-healable graphene quantum dot embedded hydrogels". . p. 54793 - 54800. Retrieved 2016/07/06.