2-Bromoacetaldehyde

Base Information

• Chemical Name: 2-Bromoacetaldehyde
• CAS No.: 17157-48-1
• Molecular Formula: C2H3 Br O
• Molecular Weight: 122.949
• Hs Code.: 2913000090
• UNII: TGB3VXQ7JV
• DSSTox Substance ID: DTXSID1020196
• Nikkaji Number: J330.645C
• Wikidata: Q27115951
• Mol file: 17157-48-1.mol

Synonyms:2-bromoacetaldehyde;bromoacetaldehyde;bromoacetaldehyde, 2-(14)C-labeled

Chemical Property of 2-Bromoacetaldehyde

Chemical Property:

• Vapor Pressure: 48.8mmHg at 25°C
• Melting Point: 136-138 °C
• Refractive Index: 1.4486 (estimate)
• Boiling Point: 93.7°Cat760mmHg
• Flash Point: 73.6°C
• PSA: 17.07000
• Density: 1.706g/cm³
• LogP: 0.58020
• XLogP3: 0.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 121.93673
• Heavy Atom Count: 4
• Complexity: 20

Purity/Quality:

99% ^*data from raw suppliers

Bromoacetaldehyde in dichloromethane.(10% w/w) sold on a dry weight basis, 1 g = 10 grams solution ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C(C=O)Br
• Uses: Bromoacetaldehyde can be used as an intermediate in pharmaceutical and chemical synthesis, mainly in laboratory research and development and chemical production processes.

Technology Process of 2-Bromoacetaldehyde

There total 61 articles about 2-Bromoacetaldehyde 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: 65.0%

trimethylsiloxyethene (6213-94-1) → trimethylsilyl bromide (2857-97-8) + bromoacetaldehyde (17157-48-1)

Guidance literature:

With bromine; In dichloromethane; at -50 - -40 ℃;

Reference yield: 11.0%

trimethylsiloxyethene (6213-94-1) → trimethylsilyl bromide (2857-97-8) + (1,2-dibromoethoxy)trimethylsilane (68490-35-7) + bromoacetaldehyde (17157-48-1)

Guidance literature:

With bromine; In dichloromethane; at 35 - 40 ℃;

Reference yield:

C10H9BrO3 → benzaldehyde (100-52-7) + bromoacetaldehyde (17157-48-1)

Guidance literature:

In benzene; Rate constant;

DOI:10.1021/jo971201x

upstream raw materials:

diethyl ether

ethanol

1,2-dibromoethyl acetate

3-bromo-1-m-tolyl-propene

Downstream raw materials:

2-phenylthiazole

2-bromomethyl-1,3-dioxolane

2-(2-oxo-ethylsulfanyl)-benzoic acid

cyclobutane-1,3-dione

Refernces

• 1、 Chen, Junyi,Young, Valerie,Catoire, Valery,Niki, Hiromi. "FTIR Spectroscopic Studies of the Mechanisms of the Halogen Atom Initiated Oxidation of Haloacetaldehydes". . p. 6580 - 6586. Retrieved 1996.
• 2、 Lee,Lee. "Preparation of new omega-aldehydoalkyl 1-thio-D-glycopyranosides, and their coupling to bovine serum albumin by reductive alkylation.". . p. 49 - 55. Retrieved 1982.
• 3、 Heilbron,Jones,O'Sullivan. "-". . p. 866,868. Retrieved 1946.
• 4、 Sandmeier, Tobias,Goetzke, F. Wieland,Krautwald, Simon,Carreira, Erick M.. "Iridium-catalyzed enantioselective allylic substitution with aqueous solutions of nucleophiles". . p. 12212 - 12218. Retrieved 2019.
• 5、 Uehara, Ayaka,Baldovini, Nicolas. "Stereoselective synthesis of (6Z,8E)-undeca-6,8,10-trien-3-one (yuzunone) for its characterization in yuzu and various citrus essential oils". . . Retrieved 2020/10/02.
• 6、 -. "NOVEL PYRROLO[2,3-d]PYRIMIDIN-4-ONE DERIVATIVES AND COMPOSITIONS FOR PREVENTING OR TREATING CANCER CONTAINING THE SAME". Paragraph 0149-0156. . Retrieved 2020/03/27.