5-Bromo-2,4-dimethoxybenzaldehyde

Base Information

• Chemical Name: 5-Bromo-2,4-dimethoxybenzaldehyde
• CAS No.: 130333-46-9
• Molecular Formula: C9H9 Br O3
• Molecular Weight: 245.073
• Hs Code.: 2913000090
• European Community (EC) Number: 625-727-6
• DSSTox Substance ID: DTXSID50349916
• Nikkaji Number: J1.358.639J
• Wikidata: Q82125486
• Mol file: 130333-46-9.mol

Synonyms:5-Bromo-2,4-dimethoxybenzaldehyde;130333-46-9;5-bromo-2,4-dimethoxy-benzaldehyde;Benzaldehyde, 5-bromo-2,4-dimethoxy-;2,4-dimethoxy-5-bromobenzaldehyde;Cambridge id 7173801;SCHEMBL1539323;DTXSID50349916;PXDIELLGFUEAIX-UHFFFAOYSA-N;3-bromo-4,6-dimethoxybenzaldehyde;2,4-dimethoxy-5-bromo-benzaldehye;MFCD00010863;STL353677;5-bromanyl-2,4-dimethoxy-benzaldehyde;AKOS000113196;5-Bromo-2,4-dimethoxybenzaldehyde, 99%;NS-03518;CS-0196352;FT-0643128;F12559;A806067;SR-01000253403;J-005795;SR-01000253403-1;InChI=1/C9H9BrO3/c1-12-8-4-9(13-2)7(10)3-6(8)5-11/h3-5H,1-2H

Chemical Property of 5-Bromo-2,4-dimethoxybenzaldehyde

Chemical Property:

• Vapor Pressure: 6.64E-05mmHg at 25°C
• Melting Point: 140-141 °C(lit.)
• Refractive Index: 1.567
• Boiling Point: 344.3°Cat760mmHg
• Flash Point: 162°C
• PSA: 35.53000
• Density: 1.482g/cm³
• LogP: 2.27880
• XLogP3: 2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 243.97351
• Heavy Atom Count: 13
• Complexity: 174

Purity/Quality:

97% ^*data from raw suppliers

5-Bromo-2,4-dimethoxybenzaldehyde ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-36

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1=CC(=C(C=C1C=O)Br)OC
• Uses: 5-Bromo-2,4-dimethoxybenzaldehyde has been used in the preparation of 1,2-dihydro-4,6-dimethoxy-3-methylbenzocyclobuten-1-ol.

Technology Process of 5-Bromo-2,4-dimethoxybenzaldehyde

There total 14 articles about 5-Bromo-2,4-dimethoxybenzaldehyde 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: 96.0%

2,4-Dimethoxybenzaldehyde (613-45-6) → 5-bromo-2, 4-dimethoxybenzaldehyde (130333-46-9)

Guidance literature:

With sodium tungstate; hydrogen bromide; dihydrogen peroxide; In acetic acid; at 40 - 45 ℃; for 0.5h;

Reference yield: 91.2%

5-bromo-4-hydroxy-2-methoxy-benzaldehyde (552845-88-2) + methyl iodide (74-88-4) → 5-bromo-2, 4-dimethoxybenzaldehyde (130333-46-9)

Guidance literature:

With potassium carbonate; In acetone; at 20 ℃; for 16h;

DOI:10.1016/j.bmcl.2014.05.099

Reference yield:

(E)-2,4-dimethoxycinnamic acid ethyl ester (42174-73-2) → 5-bromo-2, 4-dimethoxybenzaldehyde (130333-46-9)

Guidance literature:

With chloroform; bromine; und Erhitzen des Reaktionsprodukts mit Wasser;

DOI:10.1021/ja01364a049

upstream raw materials:

(E)-2,4-dimethoxycinnamic acid ethyl ester

5-bromo-2-hydroxy-4-methoxybenzaldehyde

2,4-Dimethoxybenzaldehyde

bromine

Downstream raw materials:

(E)-5-bromo-2,4-dimethoxy-β-nitrostyrene

4,6-dibromo-1,3-dimethoxybenzene

2,4-Dimethoxy-5-brom-3'-cyan-chalkon

1S,5R,1'S-1-(5-bromo-2,4-dimethoxyphenyl)-2-(6,6-dimethylbicyclo<3.1.1>hept-2-ene)ethanol