1-Bromo-4-(diethoxymethyl)benzene

Base Information

• Chemical Name: 1-Bromo-4-(diethoxymethyl)benzene
• CAS No.: 34421-94-8
• Molecular Formula: C11H15BrO2
• Molecular Weight: 259.143
• Hs Code.: 29110000
• European Community (EC) Number: 678-205-5
• DSSTox Substance ID: DTXSID50350880
• Nikkaji Number: J2.056.738D
• Wikidata: Q72451462
• Mol file: 34421-94-8.mol

Synonyms:1-Bromo-4-(diethoxymethyl)benzene;34421-94-8;4-Bromobenzaldehyde diethyl acetal;4-BromobenzaldehydeDiethylAcetal;Benzene, 1-bromo-4-(diethoxymethyl)-;4-bromobenzaldehyde diethylacetal;1-Bromo-4-diethoxymethyl-benzene;SCHEMBL508188;1-Bromo-4-diethoxymethylbenzene;4-bromobenzaldehydediethyl acetal;AMY7729;DTXSID50350880;BFSNEBVTOODGHZ-UHFFFAOYSA-N;1-bromo-4-(diethoxymethyl) benzene;1-bromo-4-(diethoxymethyl)-benzene;MFCD01863514;AKOS005207008;CS-W010156;4-Bromobenzaldehyde diethyl acetal, 99%;CS-17336;A6064;B2845;FT-0617856;D77705;J-019595

Chemical Property of 1-Bromo-4-(diethoxymethyl)benzene

Chemical Property:

• Appearance/Colour: Clear colorless to pale yellowish liquid
• Vapor Pressure: 0.00819mmHg at 25°C
• Refractive Index: n20/D 1.513(lit.)
• Boiling Point: 276.2 °C at 760 mmHg
• Flash Point: 104.4 °C
• PSA: 18.46000
• Density: 1.287 g/cm³
• LogP: 3.52070
• 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: 138

Purity/Quality:

98%,99%, ^*data from raw suppliers

4-Bromobenzaldehyde Diethyl Acetal ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xn
• Hazard Codes: Xn
• Statements: 22-36/37/38
• Safety Statements: 24/25-37/39-26

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: CCOC(C1=CC=C(C=C1)Br)OCC
• Uses: 4-Bromobenzaldehyde diethyl acetal is an important raw material and intermediate used in organic synthesis, pharmaceuticals, agrochemicals and dyestuff. 4-Bromobenzaldehyde diethyl acetal may be used in the preparation of 4-ethynylbenzaldehyde diethylacetal.

Technology Process of 1-Bromo-4-(diethoxymethyl)benzene

There total 6 articles about 1-Bromo-4-(diethoxymethyl)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%

ethanol (64-17-5) + 4-bromo-benzaldehyde (1122-91-4) → 4-bromobenzaldehyde diethyl acetal (34421-94-8)

Guidance literature:

With Eosin Y; In acetonitrile; at 20 ℃; for 12h; chemoselective reaction; Schlenk technique; Inert atmosphere; Irradiation;

DOI:10.1021/acs.orglett.6b03403

Reference yield: 98.0%

4-bromo-benzaldehyde (1122-91-4) + orthoformic acid triethyl ester (122-51-0) → 4-bromobenzaldehyde diethyl acetal (34421-94-8)

Guidance literature:

With hydrogenchloride; In ethanol; water; for 4h; Reflux;

DOI:10.1039/c2cc38352g

Reference yield: 97.8%

ethanol (64-17-5) + 4-bromo-benzaldehyde (1122-91-4) + orthoformic acid triethyl ester (122-51-0) → 4-bromobenzaldehyde diethyl acetal (34421-94-8)

Guidance literature:

With povidone-iodine; at 30 ℃; for 3h; Green chemistry;

DOI:10.1016/j.tet.2021.132250

upstream raw materials:

(4-bromophenyl)magnesium bromide

orthoformic acid triethyl ester

ethanol

4-bromo-benzaldehyde

Downstream raw materials:

4-(2,2,2-trifluoro-1,1-dihydroxyethyl)benzaldehyde

4-(2,2,2-trifluoroacetyl)benzaldehyde

(E)-3-[4-(4,5-Dimethyl-[1,3,2]dioxaborolan-2-yl)-phenyl]-acrylic acid ethyl ester

(E)-4-[4-(4,5-Dimethyl-[1,3,2]dioxaborolan-2-yl)-phenyl]-but-3-en-2-one

Refernces

• 1、 Nandi, Rajendra Prasad,Chinna Ayya Swamy,Dhanalakshmi, Pandi,Behera, Santosh Kumar,Thilagar, Pakkirisamy. "Effect of the Molecular Conformation on Excitation Energy Transfer in Conformationally Constrained Boryl-BODIPY Dyads". . p. 5452 - 5462. Retrieved 2021.
• 2、 Jiang, Guofang,Lan, Jin,Le, Zhanggao,Xie, Zongbo,Yang, Jiangnan,Zhu, Haibo. "α-Chymotrypsin-Induced Acetalization of Aldehydes and Ketones with Alcohols". . p. 2121 - 2126. Retrieved 2020/07/14.