Benzaldehyde, 3-nitro-5-(phenylmethoxy)-

Base Information

• Chemical Name: Benzaldehyde, 3-nitro-5-(phenylmethoxy)-
• CAS No.: 881422-32-8
• Molecular Formula: C14H11NO4
• Molecular Weight: 257.246
• DSSTox Substance ID: DTXSID30479189
• Nikkaji Number: J2.292.639J
• Mol file: 881422-32-8.mol

Synonyms:Benzaldehyde, 3-nitro-5-(phenylmethoxy)-;881422-32-8;SCHEMBL19874794;DTXSID30479189

Chemical Property of Benzaldehyde, 3-nitro-5-(phenylmethoxy)-

Chemical Property:

• 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:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

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

Technology Process of Benzaldehyde, 3-nitro-5-(phenylmethoxy)-

There total 4 articles about Benzaldehyde, 3-nitro-5-(phenylmethoxy)- 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: 99.0%

[3-(benzyloxy)-5-nitrophenyl]methanol (881422-85-1) → 3-(benzyloxy)-5-nitrobenzaldehyde (881422-32-8)

Guidance literature:

With pyridinium chlorochromate; In dichloromethane; at 20 ℃; for 4h;

DOI:10.1021/ol060022b

Reference yield:

benzyl bromide (100-39-0) → 3-(benzyloxy)-5-nitrobenzaldehyde (881422-32-8)

Guidance literature:

Multi-step reaction with 2 steps

1: 89 percent / potassium carbonate / acetone / 15 h / Heating

2: 99 percent / pyridinium chlorochromate / CH₂Cl₂ / 4 h / 20 °C

With potassium carbonate; pyridinium chlorochromate; In dichloromethane; acetone;

DOI:10.1021/ol060022b

Reference yield:

3-hydroxy-5-nitrobenzyl alcohol (180628-74-4) → 3-(benzyloxy)-5-nitrobenzaldehyde (881422-32-8)

Guidance literature:

Multi-step reaction with 2 steps

1: 89 percent / potassium carbonate / acetone / 15 h / Heating

2: 99 percent / pyridinium chlorochromate / CH₂Cl₂ / 4 h / 20 °C

With potassium carbonate; pyridinium chlorochromate; In dichloromethane; acetone;

DOI:10.1021/ol060022b

upstream raw materials:

[3-(benzyloxy)-5-nitrophenyl]methanol

benzyl bromide

3-hydroxy-5-nitrobenzyl alcohol

3,5-dinitrobenzyl alcohol

Downstream raw materials:

(E)-ethyl 3-[3-(benzyloxy)-5-nitrophenyl]acrylate

1-(1,1-dimethylethyl)-2-methyl 5-[[(1,1-dimethylethoxy)-carbonyl]amino]-4-iodo-7-(phenylmethoxy)indole-1,2-dicarboxylate

methyl (S)-4,7-di-tert-butoxycarbonyl-6-benzyloxy-2-hydroxy-1,2,3,4-tetrahydropyrrolo[3,2-f]quinoline-8-carboxylate

methyl (R)-4,7-di-tert-butoxycarbonyl-6-benzyloxy-2-hydroxy-1,2,3,4-tetrahydropyrrolo[3,2-f]quinoline-8-carboxylate