4-Benzyloxy-3-nitrobenzaldehyde

Base Information

• Chemical Name: 4-Benzyloxy-3-nitrobenzaldehyde
• CAS No.: 22955-07-3
• Molecular Formula: C14H11 N O4
• Molecular Weight: 257.246
• Hs Code.: 2913000090
• European Community (EC) Number: 812-159-0
• DSSTox Substance ID: DTXSID20427513
• Mol file: 22955-07-3.mol

Synonyms:4-Benzyloxy-3-nitrobenzaldehyde;22955-07-3;4-(benzyloxy)-3-nitrobenzaldehyde;3-nitro-4-phenylmethoxybenzaldehyde;4-benzyloxy-3-nitro-benzaldehyde;SCHEMBL4643645;DTXSID20427513;VJANVDWJMIGNFW-UHFFFAOYSA-N;4-phenylmethoxy-3-nitrobenzaldehyde;MFCD02629625;AKOS003220677;CS-0360149

Chemical Property of 4-Benzyloxy-3-nitrobenzaldehyde

Chemical Property:

• Vapor Pressure: 5.31E-08mmHg at 25°C
• Refractive Index: 1.634
• Boiling Point: 441.7°Cat760mmHg
• Flash Point: 201.8°C
• PSA: 72.12000
• Density: 1.301g/cm³
• LogP: 3.50950
• XLogP3: 2.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 4
• Exact Mass: 257.06880783
• Heavy Atom Count: 19
• Complexity: 309

Purity/Quality:

97% ^*data from raw suppliers

4-(Benzyloxy)-3-nitrobenzaldehyde 97% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C=C1)COC2=C(C=C(C=C2)C=O)[N+](=O)[O-]

Technology Process of 4-Benzyloxy-3-nitrobenzaldehyde

There total 4 articles about 4-Benzyloxy-3-nitrobenzaldehyde 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: 95.0%

4-hydroxy-3-nitrobenzaldehyde (3011-34-5) + benzyl bromide (100-39-0) → 4-phenylmethoxy-3-nitrobenzaldehyde (22955-07-3)

Guidance literature:

With potassium carbonate; In N,N-dimethyl-formamide;

Reference yield: 80.0%

C16H15NO3 → 4-phenylmethoxy-3-nitrobenzaldehyde (22955-07-3)

Guidance literature:

With tert-butyldimethylsilane; iron(II) acetate; In dimethyl sulfoxide; at 100 ℃; for 24h;

Reference yield:

4-hydroxy-3-nitrobenzaldehyde (3011-34-5) + benzyl alcohol (100-51-6,185532-71-2) → 4-phenylmethoxy-3-nitrobenzaldehyde (22955-07-3)

Guidance literature:

With di-isopropyl azodicarboxylate; triphenylphosphine; In tetrahydrofuran; at 0 ℃;

DOI:10.1021/ol036300d

upstream raw materials:

4-hydroxy-3-nitrobenzaldehyde

benzyl alcohol

benzyl bromide

Downstream raw materials:

(4-benzyloxy-3-nitro-phenyl)-methanol

ethyl (2Z)-3-[4-(benzyloxy)-3-nitrophenyl]-2-ethoxyacrylate

3-(4-benzyloxy-3-nitrophenyl)-2-ethoxypropanenitrile

N-(t-butoxycarbonylsulfamoyl)-N-((5-benzylbenzyloxycarbonylaminomethyl)-2-benzyloxyphenyl)-acetic acid methyl ester

Refernces

• 1、 Zhang, Zheng,You, Zhenyuan,Dobrowsky, Rick T.,Blagg, Brian S.J.. "Synthesis and evaluation of a ring-constrained Hsp90 C-terminal inhibitor that exhibits neuroprotective activity". supporting information. p. 2701 - 2704. Retrieved 2018/05/23.
• 2、 -. "FLAVONOID COMPOUNDS, AND METHODS OF USE THEREOF". Paragraph 0158; 0159; 0160. . Retrieved 2013/03/26.