Benzyl 4-(benzyloxy)-5-methoxy-2-nitrobenzoate

Base Information

• Chemical Name: Benzyl 4-(benzyloxy)-5-methoxy-2-nitrobenzoate
• CAS No.: 205259-40-1
• Molecular Formula: C22H19NO6
• Molecular Weight: 393.396
• European Community (EC) Number: 606-573-9
• DSSTox Substance ID: DTXSID20447478
• Wikidata: Q72440781
• Mol file: 205259-40-1.mol

Synonyms:benzyl 4-(benzyloxy)-5-methoxy-2-nitrobenzoate;205259-40-1;benzyl 5-methoxy-2-nitro-4-phenylmethoxybenzoate;4-benzyloxy-5-methoxy-2-nitro-benzoic acid benzyl ester;Benzoic acid, 5-methoxy-2-nitro-4-(phenylmethoxy)-, phenylmethyl ester;SCHEMBL2089147;C22H19NO6;DTXSID20447478;JQROUMRXLGWYTK-UHFFFAOYSA-N;AKOS015851923;FT-0655678;I11753;A814652;4-benzyloxy-5-methoxy-2-nitrobenzoic acid benzyl ester;(phenylmethyl) 5-methoxy-2-nitro-4-phenylmethoxy-benzoate;5-methoxy-2-nitro-4-phenylmethoxybenzoic acid (phenylmethyl) ester

Chemical Property of Benzyl 4-(benzyloxy)-5-methoxy-2-nitrobenzoate

Chemical Property:

• Vapor Pressure: 3.78E-13mmHg at 25°C
• Refractive Index: 1.609
• Boiling Point: 573.3 °C at 760 mmHg
• Flash Point: 228.7 °C
• PSA: 90.58000
• Density: 1.274
• LogP: 5.06260
• XLogP3: 4.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 8
• Exact Mass: 393.12123733
• Heavy Atom Count: 29
• Complexity: 524

Purity/Quality:

99% ^*data from raw suppliers

Benzyl4-(benzyloxy)-5-methoxy-2-nitrobenzoate ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1=C(C=C(C(=C1)C(=O)OCC2=CC=CC=C2)[N+](=O)[O-])OCC3=CC=CC=C3

Technology Process of Benzyl 4-(benzyloxy)-5-methoxy-2-nitrobenzoate

There total 5 articles about Benzyl 4-(benzyloxy)-5-methoxy-2-nitrobenzoate 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%

4-benzyloxy-3-methoxybenzoic acid benzyl ester (91203-74-6) → 4-benzyloxy-5-methoxy-2-nitrobenzoic acid benzyl ester (205259-40-1)

Guidance literature:

With nitric acid; acetic anhydride; at 20 ℃; for 3h;

DOI:10.1021/jm020505v

Reference yield:

3-methoxy-4-hydroxybenzoic acid (121-34-6) → 4-benzyloxy-5-methoxy-2-nitrobenzoic acid benzyl ester (205259-40-1)

Guidance literature:

Multi-step reaction with 2 steps

1: K₂CO₃ / dimethylformamide / 20 °C

2: 100 percent / HNO₃; Ac₂O / 3 h / 20 °C

With nitric acid; acetic anhydride; potassium carbonate; In N,N-dimethyl-formamide;

DOI:10.1021/jm020505v

Reference yield:

benzyl bromide (100-39-0) → 4-benzyloxy-5-methoxy-2-nitrobenzoic acid benzyl ester (205259-40-1)

Guidance literature:

Multi-step reaction with 2 steps

1: K₂CO₃ / dimethylformamide / 20 °C

2: 100 percent / HNO₃; Ac₂O / 3 h / 20 °C

With nitric acid; acetic anhydride; potassium carbonate; In N,N-dimethyl-formamide;

DOI:10.1021/jm020505v

upstream raw materials:

4-benzyloxy-3-methoxybenzoic acid benzyl ester

3-methoxy-4-hydroxybenzoic acid

benzyl bromide

Downstream raw materials:

Tandutinib

Refernces

• 1、 -. "SUBSTITUTED QUINAZOLINE INHIBITORS OF GROWTH FACTOR RECEPTOR TYROSINE KINASES". Page/Page column 15. . Retrieved 2010/04/23.
• 2、 -. "CHEMICAL PROCESS". Page/Page column 50. . Retrieved 2008/06/13.