2-(2-Bromophenyl)acetaldehyde

Base Information

• Chemical Name: 2-(2-Bromophenyl)acetaldehyde
• CAS No.: 96557-30-1
• Molecular Formula: C8H7BrO
• Molecular Weight: 199.047
• Hs Code.: 2913000090
• DSSTox Substance ID: DTXSID20465415
• Nikkaji Number: J1.191.679A
• Wikidata: Q82291349
• Mol file: 96557-30-1.mol

Synonyms:(2-Bromophenyl)acetaldehyde;96557-30-1;2-(2-bromophenyl)acetaldehyde;Benzeneacetaldehyde, 2-bromo-;(2-Bromo-phenyl)-acetaldehyde;1-Bromo-2-(formylmethyl)benzene;2-bromophenyl acetaldehyde;SCHEMBL166137;2-(2-bromophenyl) acetaldehyde;DTXSID20465415;AXBFWAWZAFWFQW-UHFFFAOYSA-N;(2-Bromophenyl)acetaldehyde, >90%;AKOS013283562;BS-50570;2-(2-bromophenyl)acetaldehyde, AldrichCPR;CS-0038248;FT-0663769;EN300-123468;W16824;A1-15200;F8883-7724;Z1183459130

Chemical Property of 2-(2-Bromophenyl)acetaldehyde

Chemical Property:

• Boiling Point: 262.1 °C at 760 mmHg
• Flash Point: 95.8 °C
• PSA: 17.07000
• Density: 1.466 g/cm³
• LogP: 2.19050
• Storage Temp.: Inert atmosphere,Store in freezer, under -20°C
• Solubility.: Chloroform (Slightly), DMSO (Slightly), Methanol (Slightly)
• XLogP3: 2
• 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% ^*data from raw suppliers

(2-Bromophenyl)acetaldehyde,>90% ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xn
• Hazard Codes: Xn
• Statements: 22

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C(=C1)CC=O)Br
• Uses: (2-Bromophenyl)acetaldehyde is a di-substituted benzene used in the preparation of various compounds such as phenanthrenes.

Technology Process of 2-(2-Bromophenyl)acetaldehyde

There total 24 articles about 2-(2-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: 96.0%

1-bromo-2-(2-nitroethyl) benzene → 2-bromophenylacetaldehyde (96557-30-1)

Guidance literature:

1-bromo-2-(2-nitroethyl) benzene; With sodium hydroxide; In ethanol; at 25 ℃; for 0.166667h;

With sulfuric acid; In water; pentane; at 0 - 25 ℃; for 4h;

DOI:10.1080/00397910903435411

Reference yield: 95.0%

(methoxymethyl)triphenylphosphonium chloride (4009-98-7) + ortho-bromobenzaldehyde (6630-33-7) → 2-bromophenylacetaldehyde (96557-30-1)

Guidance literature:

(methoxymethyl)triphenylphosphonium chloride; With potassium tert-butylate; In tetrahydrofuran; at 0 ℃; for 0.5h;

ortho-bromobenzaldehyde; In tetrahydrofuran; at 20 ℃; for 12h;

With formic acid; In dichloromethane; at 20 ℃; for 72h; Further stages.;

DOI:10.1021/jo001397s

Reference yield: 76.0%

2-bromophenylethyl alcohol (1074-16-4) → 2-bromophenylacetaldehyde (96557-30-1)

Guidance literature:

With Dess-Martin periodane; In dichloromethane; at 20 ℃;

upstream raw materials:

2-(2-bromophenyl)acetonitrile

2-bromophenylethyl alcohol

3-(2-Bromphenyl)-2-oxirancarbonsaeure

dimethyl L-tartrate

Downstream raw materials:

(2-Bromo-phenyl)-acetaldehyde O-methyl-oxime

1-(2-bromobenzyl)-2-p-toluenesulfonamide-1,2,3,4-tetrahydroisoquinolin-7-ol

C₂₀H₂₂BrNO₄

1-(2'-bromobenzyl)-N-tert-butyloxycarbonyl-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline

Refernces

• 1、 -. "INHIBITORS OF (ALPHA-V)(BETA-6) INTEGRIN". Page/Page column 81-82. . Retrieved 2020/03/23.
• 2、 Hisano, Naoya,Kamei, Yuto,Kansaku, Yaoki,Yamanaka, Masahiro,Mori, Keiji. "Construction of 1,3-Dithio-Substituted Tetralins by [1,5]-Alkylthio Group Transfer Mediated Skeletal Rearrangement". . p. 4223 - 4226. Retrieved 2018/07/29.