2-(3-Bromophenyl)acetaldehyde

Base Information

• Chemical Name: 2-(3-Bromophenyl)acetaldehyde
• CAS No.: 109347-40-2
• Molecular Formula: C8H7BrO
• Molecular Weight: 199.047
• Hs Code.: 2913000090
• European Community (EC) Number: 860-286-5
• UNII: 4ATG96ULL2
• DSSTox Substance ID: DTXSID30606559
• Nikkaji Number: J3.007.500E
• Wikidata: Q82505361
• Mol file: 109347-40-2.mol

Synonyms:2-(3-Bromophenyl)acetaldehyde;109347-40-2;(3-Bromophenyl)acetaldehyde;3-Bromobenzeneacetaldehyde;3-bromo-phenylacetaldehyde;4ATG96ULL2;(3-bromophenyl)-acetaldehyde;Benzeneacetaldehyde, 3-bromo-;SCHEMBL689563;(3-Bromo-phenyl)-acetaldehyde;DTXSID30606559;GQPCWVVXGHFKQY-UHFFFAOYSA-N;MFCD02261727;AKOS012322385;AB11787;AS-79067;SY239726;CS-0038245;EN300-128267;A895069;W-204715;Z1079442816

Chemical Property of 2-(3-Bromophenyl)acetaldehyde

Chemical Property:

• Vapor Pressure: 0.00812mmHg at 25°C
• Refractive Index: 1.556
• Boiling Point: 267.5 °C at 760 mmHg
• Flash Point: 99.7 °C
• PSA: 17.07000
• Density: 1.466 g/cm³
• LogP: 2.19050
• XLogP3: 2.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 197.96803
• Heavy Atom Count: 10
• Complexity: 114

Purity/Quality:

98%min ^*data from raw suppliers

(3-Bromophenyl)acetaldehyde ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 2-(3-Bromophenyl)acetaldehyde

There total 12 articles about 2-(3-Bromophenyl)acetaldehyde 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: 100.0%

2-(3-bromophenyl)ethan-1-ol (28229-69-8) → 2-(3-bromophenyl)acetaldehyde (109347-40-2)

Guidance literature:

With Dess-Martin periodane; In dichloromethane; at 20 ℃; for 1h;

DOI:10.1016/j.ejmech.2019.05.041

Reference yield: 95.0%

methyl 2-(3-bromophenyl)acetatee (150529-73-0) → 2-(3-bromophenyl)acetaldehyde (109347-40-2)

Guidance literature:

With diisobutylaluminium hydride; In dichloromethane; toluene; at -78 ℃; for 0.666667h;

DOI:10.1021/jo0509760

Reference yield: 77.0%

3-bromostyrene (2039-86-3,25584-47-8) → 2-(3-bromophenyl)acetaldehyde (109347-40-2)

Guidance literature:

3-bromostyrene; With ammonium iodide; water; sodium dodecyl-sulfate; for 0.5h;

With Oxone; at 20 ℃; for 2.96h; regioselective reaction;

DOI:10.1002/adsc.201400986

upstream raw materials:

2-(3-bromophenyl)-N-methoxy-N-methylacetamide

3-bromostyrene

methyl 2-(3-bromophenyl)acetatee

2-(3-bromophenyl)ethan-1-ol

Downstream raw materials:

2-(3-bromophenyl)ethanamine

2-(3-bromophenyl)ethan-1-ol

2-amino-4-(m-bromophenyl)thiazole

2-(3-bromophenyl)-N,N-dimethylethanamine

Refernces

• 1、 -. "RETINOID COMPOUND, PREPARATION METHOD THEREFOR, INTERMEDIATES THEREOF AND APPLICATION THEREOF". Paragraph 0128; 0129. . Retrieved 2019/01/29.
• 2、 Wang, Zhe,Xue, Fei,Hayashi, Tamio. "Synthesis of Arylacetaldehydes by Iridium-Catalyzed Arylation of Vinylene Carbonate with Arylboronic Acids". supporting information. p. 11054 - 11057. Retrieved 2019/07/17.