3-Bromobenzaldehyde diethyl acetal

Base Information

• Chemical Name: 3-Bromobenzaldehyde diethyl acetal
• CAS No.: 75148-49-1
• Molecular Formula: C11H15BrO2
• Molecular Weight: 259.143
• Hs Code.: 29110000
• European Community (EC) Number: 627-536-3
• DSSTox Substance ID: DTXSID10369933
• Nikkaji Number: J1.735.673I
• Wikidata: Q72451459
• Mol file: 75148-49-1.mol

Synonyms:3-Bromobenzaldehyde diethyl acetal;75148-49-1;1-bromo-3-(diethoxymethyl)benzene;Benzene, 1-bromo-3-(diethoxymethyl)-;MFCD01075697;3-BromobenzaldehydeDiethylAcetal;SCHEMBL3141582;DTXSID10369933;KDHRJLQXMOBXRV-UHFFFAOYSA-N;1-(Diethoxymethyl)-3-bromobenzene;AKOS005207057;CS-W012525;3-Bromobenzaldehyde diethyl acetal, 98%;AS-61335;SY034271;A9588;B3822;FT-0615192;I12060;InChI=1/C11H15BrO2/c1-3-13-11(14-4-2)9-6-5-7-10(12)8-9/h5-8,11H,3-4H2,1-2H

Chemical Property of 3-Bromobenzaldehyde diethyl acetal

Chemical Property:

• Appearance/Colour: clear colorless liquid
• Vapor Pressure: 0.0125mmHg at 25°C
• Melting Point: 95 °C/1mm
• Refractive Index: n20/D 1.512(lit.)
• Boiling Point: 268.8 °C at 760 mmHg
• Flash Point: 98.9 °C
• PSA: 18.46000
• Density: 1.286 g/cm³
• LogP: 3.52070
• Storage Temp.: 2-8°C
• XLogP3: 3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 5
• Exact Mass: 258.02554
• Heavy Atom Count: 14
• Complexity: 146

Purity/Quality:

99.5% ^*data from raw suppliers

3-Bromobenzaldehyde diethyl acetal ^*data from reagent suppliers

Safty Information:

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

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: CCOC(C1=CC(=CC=C1)Br)OCC
• Uses: 3-Bromobenzaldehyde diethyl acetal may be used in the preparation of 3-(tris[2-perfluorohexylethyl]stannyl)benzaldehyde.

Technology Process of 3-Bromobenzaldehyde diethyl acetal

There total 6 articles about 3-Bromobenzaldehyde diethyl acetal 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%

m-bromobenzoic aldehyde (3132-99-8) + orthoformic acid triethyl ester (122-51-0) → 3-bromobenzaldehyde diethylacetal (75148-49-1)

Guidance literature:

With gallium(III) iodide; In ethanol; at 20 ℃; for 0.25h; Inert atmosphere;

Reference yield: 99.0%

m-bromobenzoic aldehyde (3132-99-8) + ethanol (64-17-5) → 3-bromobenzaldehyde diethylacetal (75148-49-1)

Guidance literature:

iodine; for 1h;

DOI:10.1055/s-2002-19774

Reference yield: 97.0%

m-bromobenzoic aldehyde (3132-99-8) + Triethoxysilane (998-30-1) → 3-bromobenzaldehyde diethylacetal (75148-49-1)

Guidance literature:

With 1-diphenylphosphino-8-triphenylstibonium-naphthalene triflate; In neat liquid; at 20 ℃; for 0.16h; Inert atmosphere; Schlenk technique; Green chemistry;

DOI:10.1039/c6gc03629e

upstream raw materials:

m-bromobenzoic aldehyde

ethanol

orthoformic acid triethyl ester

Triethoxysilane

Downstream raw materials:

Si,Si,1,1'-tetramethyl-5,5'-silanediyl-bis-benzaldehyde diethylacetal

m-bromobenzoic aldehyde

3-iodobenzaldehyde diethyl acetal

ethyl 1-cyclopropyl-7-(3-diethoxymethyl-phenyl)-6-fluoro-1,4-dihydro-4-oxo-quinoline-3-carboxylate

Refernces

• 1、 Ugarte, Renzo Arias,Hudnall, Todd W.. "Antimony(v) catalyzed acetalisation of aldehydes: An efficient, solvent-free, and recyclable process". . p. 1990 - 1998. Retrieved 2017/06/09.
• 2、 Mansilla, Horacio,Afonso, Maria M.. "Iron(III) tosylate in the preparation of dimethyl and diethyl acetals from ketones and β-keto enol ethers from cyclic β-diketones". . p. 2607 - 2618. Retrieved 2008/12/22.