5-Bromo-2-nitrovanillin

Base Information

• Chemical Name: 5-Bromo-2-nitrovanillin
• CAS No.: 98434-34-5
• Molecular Formula: C8H6BrNO5
• Molecular Weight: 276.043
• Hs Code.: 2913000090
• European Community (EC) Number: 635-539-6
• DSSTox Substance ID: DTXSID8021692
• Wikidata: Q81983851
• Mol file: 98434-34-5.mol

Synonyms:5-bromo-2-nitrovanillin;5-bromo-4-hydroxy-3-methoxy-2-nitrobenzaldehyde;98434-34-5;5-bromo-4-hydroxy-3-(methyloxy)-2-nitrobenzaldehyde;SCHEMBL3187784;DTXSID8021692;XAZNBZJAJJLBJC-UHFFFAOYSA-N;AKOS024334382;LS-185004;5-bromo-4-hydroxy-3-methoxy-2-nitro benzaldehyde

Chemical Property of 5-Bromo-2-nitrovanillin

Chemical Property:

• Vapor Pressure: 3.07E-06mmHg at 25°C
• Boiling Point: 377.6°Cat760mmHg
• Flash Point: 182.2°C
• PSA: 92.35000
• Density: 1.821g/cm³
• LogP: 2.40720
• XLogP3: 1.5
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 2
• Exact Mass: 274.94293
• Heavy Atom Count: 15
• Complexity: 256

Purity/Quality:

99%min ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: COC1=C(C(=CC(=C1O)Br)C=O)[N+](=O)[O-]

Technology Process of 5-Bromo-2-nitrovanillin

There total 4 articles about 5-Bromo-2-nitrovanillin 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: 98.0%

2-nitrovanillin (2450-26-2) → 5-bromo-4-hydroxy-3-methoxy-2-nitrobenzaldehyde (98434-34-5)

Guidance literature:

With bromine; acetic acid; at 0 - 20 ℃; for 15h;

Reference yield:

→ 5-bromo-4-hydroxy-3-methoxy-2-nitrobenzaldehyde (98434-34-5)

Guidance literature:

With nitric acid; at 25 - 30 ℃; Nitrierung und nachfolgende Verseifung;

Reference yield:

vanillin acetate (881-68-5) → 5-bromo-4-hydroxy-3-methoxy-2-nitrobenzaldehyde (98434-34-5)

Guidance literature:

Multi-step reaction with 3 steps

1: nitric acid / 1.5 h / -20 - 20 °C

2: lithium hydroxide monohydrate / water; tetrahydrofuran; methanol / 15 h / 20 °C

3: bromine; acetic acid / 15 h / 0 - 20 °C

With lithium hydroxide monohydrate; bromine; nitric acid; acetic acid; In tetrahydrofuran; methanol; water;

upstream raw materials:

2-nitrovanillin

vanillin acetate

4-formyl-2-methoxy-3-nitrophenyl acetate

Downstream raw materials:

(2S,3R,4R,5S,6R)-2-(7-chloro-6-(4-cyclopropylbenzyl)benzo[d][1,3]dioxol-4-yl)-6-(hydroxymethyl)tetrahydro-2H-pyran-3,4,5-triol

Refernces

• 1、 -. "As a new polyphenylenepolymethylenepolyisocyanate deriv. SGLT2 inhibitor". Paragraph 0407-0411. . Retrieved 2016/10/09.