2,3-Dibromo-4-hydroxy-5-methoxybenzaldehyde

Base Information

• Chemical Name: 2,3-Dibromo-4-hydroxy-5-methoxybenzaldehyde
• CAS No.: 2973-75-3
• Molecular Formula: C8H6 Br2 O3
• Molecular Weight: 309.942
• Hs Code.: 2913000090
• DSSTox Substance ID: DTXSID40334356
• Nikkaji Number: J265.497K
• Wikidata: Q82100126
• Metabolomics Workbench ID: 134454
• ChEMBL ID: CHEMBL447087
• Mol file: 2973-75-3.mol

Synonyms:2,3-Dibromo-4-hydroxy-5-methoxybenzaldehyde;2973-75-3;5,6-Dibromovanillin;Benzaldehyde, 2,3-dibromo-4-hydroxy-5-methoxy-;CHEMBL447087;SCHEMBL1646879;DTXSID40334356;BBL023238;MFCD00016978;STK038595;AKOS000113483;AS-67189;2,3-dibromo-5-methoxy-4-hydroxybenzaldehyde;CS-0118157;FT-0609516;A820034;SR-01000315274;J-017616;SR-01000315274-1;2,3-bis(bromanyl)-5-methoxy-4-oxidanyl-benzaldehyde

Chemical Property of 2,3-Dibromo-4-hydroxy-5-methoxybenzaldehyde

Chemical Property:

• Vapor Pressure: 6.62E-05mmHg at 25°C
• Melting Point: 212-215oC
• Refractive Index: 1.4947 (estimate)
• Boiling Point: 334.4°Cat760mmHg
• Flash Point: 156°C
• PSA: 46.53000
• Density: 1.988g/cm³
• LogP: 2.73830
• Sensitive.: Air Sensitive
• XLogP3: 2.4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 309.86632
• Heavy Atom Count: 13
• Complexity: 188

Purity/Quality:

97% ^*data from raw suppliers

2,3-Dibromo-4-hydroxy-5-methoxybenzaldehyde ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 37/39-26

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1=C(C(=C(C(=C1)C=O)Br)Br)O

Technology Process of 2,3-Dibromo-4-hydroxy-5-methoxybenzaldehyde

There total 10 articles about 2,3-Dibromo-4-hydroxy-5-methoxybenzaldehyde 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: 81.8%

5-bromo-4-hydroxy-3-methoxybenzaldehyde (2973-76-4) → 5,6-dibromo-4-hydroxy-3-methoxybenzaldehyde (2973-75-3)

Guidance literature:

With bromine; iron; acetic acid; Reflux;

DOI:10.1016/j.ejmech.2019.01.057

Reference yield: 78.0%

vanillin (121-33-5,8014-42-4) → 5,6-dibromo-4-hydroxy-3-methoxybenzaldehyde (2973-75-3)

Guidance literature:

With bromine; iron; In acetic acid; Heating;

DOI:10.1021/ja020531i

Reference yield:

vanillin acetate (881-68-5) + bromine (7726-95-6) + iodine (7553-56-2,12190-71-5,8031-47-8) + acetic acid (64-19-7,77671-22-8) → 5,6-dibromo-4-hydroxy-3-methoxybenzaldehyde (2973-75-3) + 5-bromo-4-hydroxy-3-methoxybenzaldehyde (2973-76-4) + 6-bromovanillin (60632-40-8)

Guidance literature:

und nachfolgende Verseifen mit Kalilauge;

upstream raw materials:

5-bromo-4-hydroxy-3-methoxybenzaldehyde

6-bromovanillin

vanillin

bromine

Downstream raw materials:

2,3-dibromo-4-hydroxy-5-methoxy-benzaldehyde-oxime

5.6-dibromo-4-hydroxy-3-methoxy-trans-cinnamic acid

2,3-bis(n-butylthio)-4-hydroxy-5-methoxybenzaldehyde

2,3-dibromo-4,5-dihydroxybenzylaldehyde