4-Bromo-3,5-dimethoxybenzaldehyde

Base Information

• Chemical Name: 4-Bromo-3,5-dimethoxybenzaldehyde
• CAS No.: 31558-40-4
• Molecular Formula: C9H9BrO3
• Molecular Weight: 245.073
• Hs Code.: 2913000090
• European Community (EC) Number: 250-698-8
• UNII: 295D5VM0AP
• DSSTox Substance ID: DTXSID50185457
• Nikkaji Number: J278.145J
• Wikidata: Q72454761
• Mol file: 31558-40-4.mol

Synonyms:4-Bromo-3,5-dimethoxybenzaldehyde;31558-40-4;Benzaldehyde, 4-bromo-3,5-dimethoxy-;3,5-Dimethoxy-4-bromobenzaldehyde;4-Bromo-3,5-dimethoxy benzaldehyde;EINECS 250-698-8;295D5VM0AP;MFCD00040799;4-bromo-3,5-dimethoxy-benzaldehyde;UNII-295D5VM0AP;SCHEMBL918118;DTXSID50185457;UGBJRYUNSXFPOX-UHFFFAOYSA-N;AMY15225;BCP24276;AKOS005256467;AC-1489;CS-W014129;GS-3336;B2952;FT-0602379;4-Bromo-3,5-dimethoxybenzaldehyde, AldrichCPR;EN300-1707448;W-106890;Z1269194191

Chemical Property of 4-Bromo-3,5-dimethoxybenzaldehyde

Chemical Property:

• Vapor Pressure: 0.000111mmHg at 25°C
• Melting Point: 110-111 °C
• Refractive Index: 1.567
• Boiling Point: 336.6 °C at 760 mmHg
• Flash Point: 157.4 °C
• PSA: 35.53000
• Density: 1.482 g/cm³
• LogP: 2.27880
• Storage Temp.: Room temperature.
• 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: 160

Purity/Quality:

99% ^*data from raw suppliers

4-Bromo-3,5-dimethoxybenzaldehyde ^*data from reagent suppliers

Safty Information:

• Pictogram(s): 22-43-36/37/38:
• Hazard Codes: Xn,T:
• Statements: 36/37/38
• Safety Statements: 26-36/37/39

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1=CC(=CC(=C1Br)OC)C=O
• Uses: 4-BROMO-3,5-DIMETHOXYBENZALDEHYDE is a fundamental chemical building block used in the synthesis of more complex structures.

Technology Process of 4-Bromo-3,5-dimethoxybenzaldehyde

There total 5 articles about 4-Bromo-3,5-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: 75.0%

(4-bromo-3,5-dimethoxyphenyl)methanol (61367-62-2) → 4-bromo-3,5-dimethoxybenzaldehyde (31558-40-4)

Guidance literature:

Reference yield: 60.0%

3,5-dimethoxybenzaldehdye (7311-34-4) → 4-bromo-3,5-dimethoxybenzaldehyde (31558-40-4)

Guidance literature:

With N-Bromosuccinimide; at 0 ℃; for 0.0416667h;

Reference yield:

4-bromo-3,5-dimethoxybenzoic acid (56518-42-4) → 4-bromo-3,5-dimethoxybenzaldehyde (31558-40-4)

Guidance literature:

Multistep reaction; (i) SOCl2, (ii) Li;

DOI:10.1021/jm00286a026

upstream raw materials:

4-bromo-3,5-dimethoxybenzoic acid

3,5-dimethoxybenzaldehdye

3,5-dihydroxy-4-bromobenzoic acid

(4-bromo-3,5-dimethoxyphenyl)methanol

Downstream raw materials:

1c-<4-Brom-3,5-dimethoxy-phenyl>-2-nitro-propen

2-(4-bromo-3,5-dimethoxyphenyl)-[1,3]dioxolane

C₁₉H₁₉BrN₂O₆

C₂₀H₂₄BrN₃O₄

Refernces

• 1、 Sarma, Jagarlapudi A.R.P.,Nagaraju, Akula,Majumdar, Kanak K.,Samuel, Purnima M.,Das, Indira,Roy, Sujit,McGhie, Alistair J.. "Solid state nuclear bromination with N-bromosuccinimide. Part 2. Experimental and theoretical studies of reactions with some substituted benzaldehydes". . p. 1119 - 1123. Retrieved 2007/10/03.
• 2、 Barfknecht,Nichols. "Potential psychotomimetics. Bromomethoxyamphetamines.". . p. 370 - 372. Retrieved 2007/10/06.