4-(Benzyloxy)-1-chloro-2-nitrobenzene

Base Information

• Chemical Name: 4-(Benzyloxy)-1-chloro-2-nitrobenzene
• CAS No.: 79035-13-5
• Molecular Formula: C13H10ClNO3
• Molecular Weight: 263.68
• DSSTox Substance ID: DTXSID80453136
• Wikidata: Q82274169
• Mol file: 79035-13-5.mol

Synonyms:4-(benzyloxy)-1-chloro-2-nitrobenzene;79035-13-5;1-chloro-2-nitro-4-phenylmethoxybenzene;5-benzyloxy-2-chloro-nitrobenzene;Benzene, 1-chloro-2-nitro-4-(phenylmethoxy)-;SCHEMBL810842;DTXSID80453136;4-benzyloxy-2-nitro-chlorobenzene;KVBJIVDDLMDAPB-UHFFFAOYSA-N;4-Benzyloxy-1-chloro-2-nitro-benzene;BS-24454;F74571

Chemical Property of 4-(Benzyloxy)-1-chloro-2-nitrobenzene

Chemical Property:

• XLogP3: 3.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 263.0349209
• Heavy Atom Count: 18
• Complexity: 276

Purity/Quality:

98% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 4-(Benzyloxy)-1-chloro-2-nitrobenzene

There total 3 articles about 4-(Benzyloxy)-1-chloro-2-nitrobenzene 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: 100.0%

3-nitro-4-chlorophenol (610-78-6) + benzyl bromide (100-39-0) → 4-benzyloxy-2-nitro-chlorobenzene (79035-13-5)

Guidance literature:

With potassium carbonate; In acetonitrile; at 75 ℃; for 22h;

DOI:10.1016/j.tet.2008.05.075

Reference yield: 64.0%

3-nitro-4-chlorophenol (610-78-6) + benzyl chloride (100-44-7) → 4-benzyloxy-2-nitro-chlorobenzene (79035-13-5)

Guidance literature:

With potassium carbonate; In N,N-dimethyl-formamide; at 90 ℃; for 5h;

DOI:10.1248/cpb.37.962

Reference yield:

2-chloro-5-methoxynitrobenzene (10298-80-3) → 4-benzyloxy-2-nitro-chlorobenzene (79035-13-5)

Guidance literature:

Multi-step reaction with 2 steps

1: 96 percent / conc. hydrobromic acid / acetic acid / 41 h / Heating

2: 96 percent / K₂CO₃ / acetone; dimethylformamide / 64 h / Ambient temperature

With hydrogen bromide; potassium carbonate; In acetic acid; N,N-dimethyl-formamide; acetone;

DOI:10.1021/jm00398a017

upstream raw materials:

3-nitro-4-chlorophenol

benzyl bromide

benzyl chloride

2-chloro-5-methoxynitrobenzene

Downstream raw materials:

diethyl <4-(benzyloxy)-2-nitrophenyl>malonate

4-chloro-3-amino phenyl benzyl ether

8-benzyloxy-10,11-dihydrodibenzo[b,f][1,4]thiazepin-11-one

5-benzyloxy-2-(2'-carbomethoxy)thiophenylaniline