2-Bromoterephthalaldehyde

Base Information

• Chemical Name: 2-Bromoterephthalaldehyde
• CAS No.: 90001-43-7
• Molecular Formula: C8H5BrO2
• Molecular Weight: 213.03
• NSC Number: 95788
• DSSTox Substance ID: DTXSID80294309
• Nikkaji Number: J664.238A
• Wikidata: Q82033543

Synonyms:2-bromoterephthalaldehyde;90001-43-7;NSC95788;2-bromo-terephthalaldehyde;SCHEMBL1174661;YSZC2034;DTXSID80294309;YVNJOTVKIMMVLW-UHFFFAOYSA-N;MFCD28359535;NSC-95788;1,4-benzenedicarboxaldehyde, 2-bromo-;AB10136;BS-45101;InChI=1/C8H5BrO2/c9-8-3-6(4-10)1-2-7(8)5-11/h1-5

Chemical Property of 2-Bromoterephthalaldehyde

Chemical Property:

• Vapor Pressure: 0.000329mmHg at 25°C
• Boiling Point: 319.9°Cat760mmHg
• Flash Point: 134°C
• Density: 1.652g/cm³
• XLogP3: 1.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 211.94729
• Heavy Atom Count: 11
• Complexity: 158

Purity/Quality:

99%, ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=C(C=C1C=O)Br)C=O

Technology Process of 2-Bromoterephthalaldehyde

There total 6 articles about 2-Bromoterephthalaldehyde 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: 82.0%

4-bromo-m-xylene (553-94-6) → 2-bromobenzene-1,4-dicarbaldehyde (90001-43-7)

Guidance literature:

With C₁₅H₁₁ClN₄SZn; p-benzoquinone; In tert-butyl alcohol; for 8h; Reagent/catalyst;

DOI:10.1016/j.jphotochem.2021.113455

Reference yield:

2-bromo-N1,N4-dimethoxy-N1,N4-dimethylterephthalamide → 2-bromobenzene-1,4-dicarbaldehyde (90001-43-7)

Guidance literature:

With lithium aluminium tetrahydride; In tetrahydrofuran; at -78 ℃; for 1.25h; Inert atmosphere;

Reference yield:

(2-bromo-1,4-phenylene) dimethyl carbinol (89980-92-7) → 2-bromobenzene-1,4-dicarbaldehyde (90001-43-7)

Guidance literature:

With sodium hydrogencarbonate; Dess-Martin periodane; In dichloromethane; for 2h;

upstream raw materials:

4-bromo-m-xylene

(2-bromo-1,4-phenylene) dimethyl carbinol

dimethyl 2-bromoterephthalate

Brom-1,4-bis-(acetoxymethyl)-benzol

Downstream raw materials:

(2-bromo-1,4-phenylene) dimethyl carbinol

2-bromo-1,4-benzenedicarboxylic acid

3-bromo-4-(hydroxymethyl)benzoic acid

3-bromo-4-hydroxymethylbenzoic acid methyl ester

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