2-Bromobenzenebutanal

Base Information

• Chemical Name: 2-Bromobenzenebutanal
• CAS No.: 123206-84-8
• Molecular Formula: C₁₀H₁₁BrO
• Molecular Weight: 227.101
• European Community (EC) Number: 891-615-0
• DSSTox Substance ID: DTXSID201314715
• Nikkaji Number: J1.892.898A
• Mol file: 123206-84-8.mol

Synonyms:2-Bromobenzenebutanal;4-(2-bromophenyl)butanal;123206-84-8;SCHEMBL824824;DTXSID201314715;AKOS013847051;EN300-1911415;Z1233207918

Chemical Property of 2-Bromobenzenebutanal

Chemical Property:

• XLogP3: 2.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 4
• Exact Mass: 225.99933
• Heavy Atom Count: 12
• Complexity: 136

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

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

Technology Process of 2-Bromobenzenebutanal

There total 9 articles about 2-Bromobenzenebutanal 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: 89.0%

homoalylic alcohol (627-27-0) + 1-Bromo-2-iodobenzene (583-55-1) → 4-(2-bromophenyl)butyraldehyde (123206-84-8)

Guidance literature:

With tetrabutyl-ammonium chloride; sodium hydrogencarbonate; palladium diacetate; In N,N-dimethyl-formamide; at 40 ℃;

DOI:10.1016/S0040-4039(03)00676-2

Reference yield: 69.0%

homoalylic alcohol (627-27-0) + 2-bromo-1-chlorobenzene (694-80-4) → 4-(2-bromophenyl)butyraldehyde (123206-84-8)

Guidance literature:

With lithium acetate; tetrabutyl-ammonium chloride; lithium chloride; palladium diacetate; In N,N-dimethyl-formamide; at 40 ℃; for 28h;

DOI:10.1021/ja005698v

Reference yield: 64.0%

1-bromo-2-(but-3-enyl)benzene (71813-50-8) → 4-(2-bromophenyl)-2-butanone (3506-68-1) + 4-(2-bromophenyl)butyraldehyde (123206-84-8)

Guidance literature:

With bis(benzonitrile)palladium(II) dichloride; silver(I) nitrite; copper(II) choride dihydrate; nitromethane; oxygen; tert-butyl alcohol; at 20 ℃; for 6h; under 760.051 Torr; Overall yield = 71 %;

DOI:10.1002/anie.201306756

upstream raw materials:

homoalylic alcohol

1-Bromo-2-iodobenzene

2-bromo-1-chlorobenzene

1-bromo-2-(but-3-enyl)benzene