3,5-Dibromo-4-hydroxybenzaldehyde

Base Information

• Chemical Name: 3,5-Dibromo-4-hydroxybenzaldehyde
• CAS No.: 2973-77-5
• Molecular Formula: C7H4Br2O2
• Molecular Weight: 279.916
• Hs Code.: 29130000
• European Community (EC) Number: 221-017-1
• NSC Number: 72944
• DSSTox Substance ID: DTXSID20183889
• Nikkaji Number: J80.603J
• Wikidata: Q72464425
• Metabolomics Workbench ID: 129714
• ChEMBL ID: CHEMBL254956
• Mol file: 2973-77-5.mol

Synonyms:3,5-DIBROMO-4-HYDROXYBENZALDEHYDE;2973-77-5;Benzaldehyde, 3,5-dibromo-4-hydroxy-;EINECS 221-017-1;MFCD00016980;Timtec-Bb Sbb006529;NSC72944;NSC 72944;SCHEMBL373244;CHEMBL254956;DTXSID20183889;BCP21443;3,5-dibromo-4-hydroxy benzaldehyde;3,5-dibromo-4-hydroxy-benzaldehyde;4-hydroxy-3,5-dibromo benzaldehyde;BBL023240;NSC-72944;STK021250;AKOS000113473;s10414;3,5-Dibromo-4-hydroxybenzaldehyde, 98%;AC-13720;AS-12381;BP-20235;CS-0008358;D0189;FT-0614495;EN300-18119;A820036;AG-205/06024052;W-106975;Z57176718

Chemical Property of 3,5-Dibromo-4-hydroxybenzaldehyde

Chemical Property:

• Appearance/Colour: pink to pale brown crystalline powder or needles
• Vapor Pressure: 0.00345mmHg at 25°C
• Melting Point: 181-185 °C(lit.)
• Refractive Index: 1.687
• Boiling Point: 273.3 °C at 760 mmHg
• PKA: 4.72±0.23(Predicted)
• Flash Point: 119.1 °C
• PSA: 37.30000
• Density: 2.122 g/cm³
• LogP: 2.72970
• Storage Temp.: Inert atmosphere,Room Temperature
• Sensitive.: Air Sensitive
• XLogP3: 3.2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 279.85576
• Heavy Atom Count: 11
• Complexity: 139

Purity/Quality:

99% ^*data from raw suppliers

3,5-Dibromo-4-hydroxybenzaldehyde ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-36

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: C1=C(C=C(C(=C1Br)O)Br)C=O
• Uses: 3,5-Dibromo-4-hydroxybenzaldehyde is a marine antibiotic derived from marine bacteria (organism).

Technology Process of 3,5-Dibromo-4-hydroxybenzaldehyde

There total 17 articles about 3,5-Dibromo-4-hydroxybenzaldehyde 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: 97.2%

4-hydroxy-benzaldehyde (123-08-0,65581-83-1) → 3,5-dibromo-4-hydroxybenzaldehyde (2973-77-5)

Guidance literature:

With bromine; In methanol;

DOI:10.1016/j.molstruc.2006.09.006

Reference yield: 93.0%

2,6-dibromo-4-((2-hydroxyethoxy)methyl)phenol (1567388-65-1) → 3,5-dibromo-4-hydroxybenzaldehyde (2973-77-5)

Guidance literature:

With oxygen; cobalt(II) diacetate tetrahydrate; sodium hydroxide; In ethylene glycol; at 80 ℃; for 4h; under 760.051 Torr;

DOI:10.1016/j.tetlet.2013.12.077

Reference yield: 90.0%

3,5-dibromo-4-hydroxytoluene (2432-14-6) → 3,5-dibromo-4-hydroxybenzaldehyde (2973-77-5)

Guidance literature:

With oxygen; cobalt(II) diacetate tetrahydrate; sodium hydroxide; In ethylene glycol; at 80 ℃; for 8h; under 760.051 Torr; Reagent/catalyst; Temperature;

DOI:10.1016/j.tetlet.2013.12.077

upstream raw materials:

4-hydroxy-benzaldehyde

p-cresol

3,5-dibromo-4-hydroxytoluene

2,6-dibromo-4-bromomethylene-cyclohexa-2,5-dienone

Downstream raw materials:

4-(benzyloxy)-3,5-dibromobenzaldehyde

2-(3,5-dibromo-4-hydroxy-phenyl)-[1,3]thiazinan-4-one

4-amino-2-(3,5-dibromo-4-hydroxy-phenyl)-chromeno[4,3-d]pyrimidin-5-one

5-isoxazoleethanol, α-[3,5-dibromo-4-hydroxyphenyl]-3-methyl-

Refernces

• 1、 Bhardwaj, Nivedita,Goel, Bharat,Indra, Arindam,Jain, Shreyans K.,Singh, Ajit Kumar,Tripathi, Nancy. "Ni-NiO heterojunctions: a versatile nanocatalyst for regioselective halogenation and oxidative esterification of aromatics". . p. 14177 - 14183. Retrieved 2021/08/16.
• 2、 Xu, Jingjing,Wang, Kai,Wu, Jinlong. "A short and efficient total synthesis of the bromotyrosine-derived alkaloid psammaplysene A". . p. 13747 - 13749. Retrieved 2018/04/25.