2-Bromo-3,6-dihydroxybenzaldehyde

Base Information

• Chemical Name: 2-Bromo-3,6-dihydroxybenzaldehyde
• CAS No.: 241127-72-0
• Molecular Formula: C7H5 Br O3
• Molecular Weight: 217.019
• Hs Code.: 2913000090
• DSSTox Substance ID: DTXSID30575615
• Nikkaji Number: J2.271.881I
• Wikidata: Q82465019
• Mol file: 241127-72-0.mol

Synonyms:2-bromo-3,6-dihydroxybenzaldehyde;241127-72-0;2-bromo-3,6-dihydroxybenzenecarbaldehyde;Benzaldehyde, 2-bromo-3,6-dihydroxy- (9CI);2-bromo-3,6-dihydroxy-benzaldehyde;SCHEMBL5311396;DTXSID30575615;QYNSPAPDKFXPMC-UHFFFAOYSA-N;MFCD14584781;AKOS005071766;AE-0031;CS-0450049;O10673;EN300-7412255;J-508202;Z1269235695

Chemical Property of 2-Bromo-3,6-dihydroxybenzaldehyde

Chemical Property:

• PSA: 57.53000
• LogP: 1.67280
• XLogP3: 1.9
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 215.94221
• Heavy Atom Count: 11
• Complexity: 151

Purity/Quality:

98%min ^*data from raw suppliers

2-bromo-3,6-dihydroxybenzenecarbaldehyde ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=C(C(=C1O)C=O)Br)O

Technology Process of 2-Bromo-3,6-dihydroxybenzaldehyde

There total 2 articles about 2-Bromo-3,6-dihydroxybenzaldehyde 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: 100.0%

2,5-Dihydroxybenzaldehyde (1194-98-5) → 2-bromo-3,6-dihydroxy-benzaldehyde (241127-72-0)

Guidance literature:

With bromine; In chloroform; Inert atmosphere;

DOI:10.1016/j.tet.2011.10.026

Reference yield:

2,5-dimethoxybenzaldehyde (93-02-7) → 2-bromo-3,6-dihydroxy-benzaldehyde (241127-72-0)

Guidance literature:

Multi-step reaction with 2 steps

1: 97 percent / BBr₃ / CH₂Cl₂ / 1 h / -78 - 0 °C

2: Br₂ / CHCl₃ / 20 °C

With bromine; boron tribromide; In dichloromethane; chloroform;

DOI:10.1021/ja021396c

Reference yield: 100.0%

chloromethyl methyl ether (107-30-2) + 2-bromo-3,6-dihydroxy-benzaldehyde (241127-72-0) → 2-bromo-3,6-bis(methoxymethoxy)benzaldehyde

Guidance literature:

With N-ethyl-N,N-diisopropylamine; In dichloromethane; at 20 ℃; for 17h;

DOI:10.1016/j.tet.2015.05.024

upstream raw materials:

2,5-Dihydroxybenzaldehyde

2,5-dimethoxybenzaldehyde

Downstream raw materials:

2-bromo-6-hydroxy-3-methoxymethoxy-benzaldehyde

2-bromo-6-hydroxy-3-methoxybenzaldehyde

C₈H₉BrO₃

5-bromo-2,2-dimethyl-6-phenoxy-2H-chromene