4-Bromocinnamaldehyde

Base Information

• Chemical Name: 4-Bromocinnamaldehyde
• CAS No.: 49678-04-8
• Molecular Formula: C9H7BrO
• Molecular Weight: 211.058
• Hs Code.: 2913000090
• European Community (EC) Number: 637-126-6
• Nikkaji Number: J2.005.322D,J432.424B
• Wikidata: Q76324035
• Mol file: 49678-04-8.mol

Synonyms:4-BROMOCINNAMALDEHYDE;49678-04-8;trans-4-Bromocinnamaldehyde;(E)-3-(4-Bromophenyl)acrylaldehyde;3893-18-3;3-(4-bromophenyl)acrylaldehyde;(E)-3-(4-bromophenyl)prop-2-enal;(2E)-3-(4-bromophenyl)prop-2-enal;2-Propenal, 3-(4-bromophenyl)-, (2E)-;E-3-(4-Bromophenyl)-2-propenal;3-(4-bromophenyl)-acrolein;MFCD03032509;4-Bromobenzenepropenal;SCHEMBL240614;SCHEMBL240615;trans-3-(4-Bromophenyl)acrolein;XYRAWLRFGKLUMW-OWOJBTEDSA-N;trans-4-Bromocinnamaldehyde, 97%;(e)-3-(4-bromo-phenyl)-propenal;STK035164;trans-3-(4-Bromophenyl)-2-propenal;trans-3-(4-Bromophenyl)acrylaldehyde;AKOS005128498;AM85792;CS-W015068;AS-40767;B4337;EN300-6493861;A871752;J-011290;J-501909;Z1269187977

Chemical Property of 4-Bromocinnamaldehyde

Chemical Property:

• Appearance/Colour: Light Yellow Solid
• Vapor Pressure: 0.000598mmHg at 25°C
• Melting Point: 70-74 °C
• Refractive Index: 1.611
• Boiling Point: 310.5 °C at 760 mmHg
• Flash Point: 114.5 °C
• PSA: 17.07000
• Density: 1.466 g/cm³
• LogP: 2.66120
• Storage Temp.: Inert atmosphere,Store in freezer, under -20°C
• Solubility.: Chloroform, Dichloromethane, Ethyl Acetate, Hexane
• XLogP3: 2.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 209.96803
• Heavy Atom Count: 11
• Complexity: 146

Purity/Quality:

99.9% ^*data from raw suppliers

4-Bromocinnamaldehyde ^*data from reagent suppliers

Safty Information:

• Safety Statements: 22-24/25

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=CC=C1C=CC=O)Br
• Isomeric SMILES: C1=CC(=CC=C1/C=C/C=O)Br

Technology Process of 4-Bromocinnamaldehyde

There total 56 articles about 4-Bromocinnamaldehyde 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: 95.0%

3-(4-bromophenyl)prop-2-en-1-ol (105515-33-1,130265-32-6) → 4-bromocinnamaldeyde (49678-04-8,3893-18-3)

Guidance literature:

With oxygen; Ni-Al hydrotalcite; In toluene; at 90 ℃; for 12h;

DOI:10.1002/1521-3773(20010216)40:4<763::AID-ANIE7630>3.0.CO;2-T

Reference yield: 83.0%

ethanol (64-17-5) + 4-bromo-benzaldehyde (1122-91-4) → 4-bromocinnamaldeyde (49678-04-8,3893-18-3)

Guidance literature:

With sodium hydroxide; at 120 ℃; for 4h; pH=8;

DOI:10.1021/acscatal.9b01197

Reference yield: 80.0%

acetaldehyde (75-07-0,9002-91-9) + 4-bromo-benzaldehyde (1122-91-4) → 4-bromocinnamaldeyde (49678-04-8,3893-18-3)

Guidance literature:

With potassium chloride; In water; N,N-dimethyl-formamide; Electrolysis;

upstream raw materials:

3-(4-bromophenyl)prop-2-en-1-ol

methyl 4-bromocinnamate

4-bromocinnamoyl chloride

3-(4-bromophenyl)acrylic acid

Downstream raw materials:

4-bromo-trans-cinnamaldehyde-semicarbazone

p-Bromzimtaldehyd-diethylacetal

4,4''-dibromo-p-terphenyl

(3E)-4-(4-bromophenyl)-3-buten-2-ol

Refernces

• 1、 Urnikaite, Simona,Braukyla, Titas,Magomedov, Artiom,Kamarauskas, Egidijus,Malinauskas, Tadas,Getautis, Vytautas. "A structural study of Troger's base scaffold-based dyes for DSSC applications". . p. 48 - 61. Retrieved 2017.
• 2、 Pan, Gao-Fei,Wang, Zhe,Chang, Yi-Yuan,Hao, Yue,Wang, Yi-Chen,Xing, Rui-Guang. "An efficient Pd@Pro-GO heterogeneous catalyst for the α, β-dehydrogenation of saturated aldehyde and ketones". supporting information. . Retrieved 2021/12/30.
• 3、 -. "Method for preparing olefine aldehyde by catalyzing terminal alkyne or terminal conjugated eneyne and diphosphine ligand used in method". Paragraph 0133-0136. . Retrieved 2021/05/29.