1-Bromo-4-(1,1-diethoxyethyl)benzene

Base Information

• Chemical Name: 1-Bromo-4-(1,1-diethoxyethyl)benzene
• CAS No.: 61390-40-7
• Molecular Formula: C12H17BrO2
• Molecular Weight: 273.17
• Hs Code.: 2911000000
• DSSTox Substance ID: DTXSID00571462
• Nikkaji Number: J2.554.797G
• Wikidata: Q82459552
• Mol file: 61390-40-7.mol

Synonyms:1-Bromo-4-(1,1-diethoxyethyl)benzene;61390-40-7;4-Bromoacetophenone diethyl ketal;SCHEMBL17069691;DTXSID00571462;KFGZPBKZYURLEW-UHFFFAOYSA-N;4-Bromoacetophenone diethyl acetal95;AKOS015916545;4-Bromoacetophenone diethyl ketal, 95%

Chemical Property of 1-Bromo-4-(1,1-diethoxyethyl)benzene

Chemical Property:

• Vapor Pressure: 0.00418mmHg at 25°C
• Melting Point: 20-22 °C(lit.)
• Refractive Index: 1.508
• Boiling Point: 108-109 °C5 mm Hg(lit.)
• Flash Point: 149 °F
• PSA: 18.46000
• Density: 1.245 g/mL at 25 °C(lit.)
• LogP: 3.69480
• XLogP3: 3.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 5
• Exact Mass: 272.04119
• Heavy Atom Count: 15
• Complexity: 171

Purity/Quality:

99% ^*data from raw suppliers

4-Bromoacetophenone diethyl ketal 95% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: CCOC(C)(C1=CC=C(C=C1)Br)OCC

Technology Process of 1-Bromo-4-(1,1-diethoxyethyl)benzene

There total 2 articles about 1-Bromo-4-(1,1-diethoxyethyl)benzene 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: 99.0%

para-bromoacetophenone (99-90-1) + orthoformic acid triethyl ester (122-51-0) → 1-bromo-4-(1,1-diethoxyethyl)benzene (61390-40-7)

Guidance literature:

With hydrogenchloride; In ethanol; water; for 4h; Inert atmosphere; Schlenk technique; Reflux;

DOI:10.1039/c3dt52565a

Reference yield: 95.0%

ethanol (64-17-5) + para-bromoacetophenone (99-90-1) + orthoformic acid triethyl ester (122-51-0) → 1-bromo-4-(1,1-diethoxyethyl)benzene (61390-40-7)

Guidance literature:

With povidone-iodine; at 30 ℃; for 6h; Green chemistry;

DOI:10.1016/j.tet.2021.132250

Reference yield: 99.0%

1-bromo-4-(1,1-diethoxyethyl)benzene (61390-40-7) → para-bromoacetophenone (99-90-1)

Guidance literature:

bismuth(III) iodide; In water; at 100 ℃; for 2h;

DOI:10.1016/j.tetlet.2007.11.127

upstream raw materials:

para-bromoacetophenone

orthoformic acid triethyl ester

ethanol

Downstream raw materials:

2-(4-bromo-phenyl)-quinolin-4-ol

para-bromoacetophenone

4-acetylphenylboronic acid

2-(4-acetylphenyl)-4,5-dimethyl-1,3,2-dioxaborolane