(3-Bromo-1,4-dimethoxy-naphthalen-2-yl)-acetaldehyde

Base Information

• Chemical Name: (3-Bromo-1,4-dimethoxy-naphthalen-2-yl)-acetaldehyde
• CAS No.: 960607-56-1
• Molecular Formula: C₁₄H₁₃BrO₃
• Molecular Weight: 309.159
• Hs Code.: 2913000090
• DSSTox Substance ID: DTXSID90439042
• Nikkaji Number: J2.521.256H
• Wikidata: Q82254917
• Mol file: 960607-56-1.mol

Synonyms:960607-56-1;(3-bromo-1,4-dimethoxy-naphthalen-2-yl)-acetaldehyde;2-(3-Bromo-1,4-dimethoxynaphthalen-2-yl)acetaldehyde;(3-bromo-1,4-dimethoxynaphthalen-2-yl)acetaldehyde;DTXSID90439042;FT-0711274;1,4-Dimethoxy-3-bromonaphthalene-2-acetaldehyde;(3-Bromo-1,4-dimethoxynaphthalen-2-yl) acetaldehyde;3-(4-THIOPHEN-2-YL-6-TRIFLUOROMETHYL-PYRIMIDINE-2-SULFONYL)-PROPIONICACID

Chemical Property of (3-Bromo-1,4-dimethoxy-naphthalen-2-yl)-acetaldehyde

Chemical Property:

• Vapor Pressure: 1.51E-07mmHg at 25°C
• Boiling Point: 428.5°C at 760 mmHg
• Flash Point: 212.9°C
• PSA: 35.53000
• Density: 1.418g/cm³
• LogP: 3.36090
• XLogP3: 3.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 308.00481
• Heavy Atom Count: 18
• Complexity: 284

Purity/Quality:

98% ^*data from raw suppliers

2-(3-Bromo-1,4-dimethoxynaphthalen-2-yl)acetaldehyde 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1=C(C(=C(C2=CC=CC=C21)OC)Br)CC=O

Technology Process of (3-Bromo-1,4-dimethoxy-naphthalen-2-yl)-acetaldehyde

There total 5 articles about (3-Bromo-1,4-dimethoxy-naphthalen-2-yl)-acetaldehyde 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: 85.0%

2-allyl-3-bromo-1,4-dimethoxy-naphthalene (80089-60-7) → 2-(2-bromo-1,4-dimethoxynaphthalen-3-yl)acetaldehyde (960607-56-1)

Guidance literature:

2-allyl-3-bromo-1,4-dimethoxy-naphthalene; With ozone; In dichloromethane; at -60 ℃;

With 2,3-dimercapto-succinic acid; In dichloromethane; at -60 - 20 ℃; Further stages.;

DOI:10.1055/s-2007-983848

Reference yield:

2-bromo-1,4-naphthoquinone (2065-37-4) → 2-(2-bromo-1,4-dimethoxynaphthalen-3-yl)acetaldehyde (960607-56-1)

Guidance literature:

Multi-step reaction with 4 steps

1: 1.) Na₂S₂O₄, 2.) KOH

2: HBr / acetic acid

4: DIBALH

With potassium hydroxide; sodium dithionite; hydrogen bromide; diisobutylaluminium hydride; In acetic acid;

DOI:10.1021/jo00105a046

Reference yield:

2-bromo-1,4-dimethoxynaphthalene (64648-81-3) → 2-(2-bromo-1,4-dimethoxynaphthalen-3-yl)acetaldehyde (960607-56-1)

Guidance literature:

Multi-step reaction with 3 steps

1: HBr / acetic acid

3: DIBALH

With hydrogen bromide; diisobutylaluminium hydride; In acetic acid;

DOI:10.1021/jo00105a046

upstream raw materials:

3-bromo-1,4-dimethoxy-2-naphthaleneacetonitrile

2-allyl-3-bromo-1,4-dimethoxy-naphthalene

2-bromo-1,4-naphthoquinone

2-bromo-1,4-dimethoxynaphthalene

Downstream raw materials:

3-bromo-2-(2-hydroxypropyl)-1,4-dimethoxynaphthalene

2-(3-[1,3]Dioxolan-2-ylmethyl-1,4-dimethoxy-naphthalene-2-carbonyl)-benzoic acid

2-[1,4-Dimethoxy-3-(2-oxo-ethyl)-naphthalene-2-carbonyl]-benzoic acid methyl ester