3-Bromobenzaldehyde

Base Information

• Chemical Name: 3-Bromobenzaldehyde
• CAS No.: 3132-99-8
• Deprecated CAS: 2222571-80-2,2377515-68-7
• Molecular Formula: C7H5BrO
• Molecular Weight: 185.02
• Hs Code.: 29130000
• European Community (EC) Number: 221-526-9
• NSC Number: 66828
• UNII: W0ARD2ZJ82
• DSSTox Substance ID: DTXSID4027521
• Nikkaji Number: J30.726B
• Wikipedia: 3-Bromobenzaldehyde
• Wikidata: Q926392
• ChEMBL ID: CHEMBL1568619
• Mol file: 3132-99-8.mol

Synonyms:3-bromobenzaldehyde

Chemical Property of 3-Bromobenzaldehyde

Chemical Property:

• Appearance/Colour: clear colorless to yellow liquid after melting
• Vapor Pressure: 0.0505mmHg at 25°C
• Melting Point: 18-21 °C(lit.)
• Refractive Index: n20/D 1.593(lit.)
• Boiling Point: 235.3 °C at 760 mmHg
• Flash Point: 96.1 °C
• PSA: 17.07000
• Density: 1.577 g/cm³
• LogP: 2.26160
• Storage Temp.: Store below +30°C.
• Sensitive.: Air Sensitive
• Solubility.: Chloroform, Methanol
• Water Solubility.: DECOMPOSES
• XLogP3: 2.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 183.95238
• Heavy Atom Count: 9
• Complexity: 103

Purity/Quality:

99% ^*data from raw suppliers

3-Bromobenzaldehyde ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xn,Xi
• Hazard Codes: Xn,Xi
• Statements: 22-36/37/38
• Safety Statements: 26-36

MSDS Files:

SDS file from LookChem

Useful:

• Chemical Classes: Other Classes -> Benzaldehydes
• Canonical SMILES: C1=CC(=CC(=C1)Br)C=O
• Uses: A substituted benzaldehyde used in the synthesis of more complex pharmaceutical compounds. It is also employed as an active pharmaceutical ingredient. 3-Bromobenzaldehyde, is a substituted benzaldehyde, shown to have antibacterial activity against Mycobacterium tuberculosis. It is also a versatile building block, used in the synthesis of more complex pharmaceutical compounds.

Technology Process of 3-Bromobenzaldehyde

There total 68 articles about 3-Bromobenzaldehyde 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%

(3-Bromophenyl)methanol (15852-73-0) → m-bromobenzoic aldehyde (3132-99-8)

Guidance literature:

With fluorosulfonyl fluoride; potassium carbonate; dimethyl sulfoxide; at 20 ℃; for 12h; chemoselective reaction;

DOI:10.1002/adsc.201900104

Reference yield: 99.0%

1,3-dibromobenzene (108-36-1) + N,N-dimethyl-formamide (68-12-2,33513-42-7) → m-bromobenzoic aldehyde (3132-99-8)

Guidance literature:

1,3-dibromobenzene; With tri-n-butyllithium magnesate complex; In toluene; at 0 ℃; for 1.5h;

N,N-dimethyl-formamide; In toluene; at 0 ℃; for 0.5h;

With citric acid; at 20 ℃;

DOI:10.1016/S0040-4039(01)00861-9

Reference yield: 93.0%

3-(1,3-dioxolan-2-yl)-phenylbromide (17789-14-9) → m-bromobenzoic aldehyde (3132-99-8)

Guidance literature:

With carbon tetrabromide; In water; acetonitrile; at 45 ℃; for 2h; sonication;

DOI:10.1016/S0040-4020(97)00993-9

upstream raw materials:

meta-bromotoluene

3-bromo-benzoic acid hydrazide

m-bromobenzoic acid

meta-bromobenzyl bromide

Downstream raw materials:

m-bromobenzoic acid

(3-Bromophenyl)methanol

1-(3-bromophenyl)ethanol

(3-bromo-phenyl)-bis-(2-hydroxy-5-methyl-phenyl)-methane

Refernces

Dual [Fe+Phosphine] catalysis: Application in catalytic wittig olefination

10.1002/cctc.201500053

The study presented in the PDF document titled "Dual [Fe+Phosphine] Catalysis: Application in Catalytic Wittig Olefination" focuses on the development and application of a dual catalysis system involving iron hydride complexes and phosphines for the selective reduction of carbonyl and phosphine oxide groups. The researchers explored the use of Fe-based complexes for the hydrosilylation of aldehydes, ketones, and phosphine oxides, demonstrating that these complexes could effectively reduce phosphine oxides to phosphines. This reduction process was then integrated into a catalytic Wittig olefination reaction, which is a synthetically useful transformation for the formation of olefins from aldehydes or ketones and a-halocarboxylic acid esters. The study successfully utilized a readily accessible Fe-H complex in conjunction with triphenylphosphine as an organocatalyst and phenylsilane as a stoichiometric reductant, achieving moderate to good yields of the desired olefination products. This work not only expands the application scope of Fe-based catalysis but also provides a potential avenue for the in situ recycling of phosphines, which is beneficial for large-scale applications and more sustainable chemical processes.

Post a RFQ

Cas No.:

Product Name:

Quantity:

Please select Metric Ton KG G Pound L ML

Email:

Company name:

Valid Period:

Detailed Requirements:

• Sample
• MOQ
• GMP
• FDA
• Price
  FOB CIF CFR EXW
• Urgent purchase

Enter 15 to 2000 letters.Word count: 0 letters

Attach files(File Format: Jpeg, Jpg, Gif, Png, PDF, PPT, Zip, Rar,Word or Excel Maximum File Size: 3MB)

Remove

Submit

1

What can I do for you?
Get Best Price

Get Best Price for 3132-99-8 3-Bromobenzaldehyde

Send

Send

Metric Ton KG G Pound L ML

Send

Send