2-Propenoic acid, 3-(2-bromophenyl)-

Base Information

• Chemical Name: 2-Propenoic acid, 3-(2-bromophenyl)-
• CAS No.: 7499-56-1
• Molecular Formula: C₉H₇BrO₂
• Molecular Weight: 227.057
• DSSTox Substance ID: DTXSID501295766
• Mol file: 7499-56-1.mol

Synonyms:2-Propenoic acid, 3-(2-bromophenyl)-;DTXSID501295766;3-(2-Bromophenyl)-2-propenoic acid;AKOS025243570;FT-0611548;FT-0611549;FT-0650350

Chemical Property of 2-Propenoic acid, 3-(2-bromophenyl)-

Chemical Property:

• Vapor Pressure: 3.42E-05mmHg at 25°C
• Melting Point: 217-219°C
• Boiling Point: 340 °C at 760 mmHg
• Flash Point: 159.4 °C
• PSA: 37.30000
• Density: 1.607 g/cm³
• LogP: 2.54690
• Storage Temp.: 2-8°C
• XLogP3: 2.5
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 225.96294
• Heavy Atom Count: 12
• Complexity: 189

Purity/Quality:

98%min ^*data from raw suppliers

2-Bromocinnamic Acid ^*data from reagent suppliers

Safty Information:

• Pictogram(s): R36/37/38:对眼睛、呼吸道和皮肤有刺激作用。
• Hazard Codes: R36/37/38:对眼睛、呼吸道和皮肤有刺激作用。
• Statements: 36/37/38
• Safety Statements: 26-36/37/39

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 2-Propenoic acid, 3-(2-bromophenyl)-

There total 6 articles about 2-Propenoic acid, 3-(2-bromophenyl)- 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: 71.0%

malonic acid (141-82-2) + ortho-bromobenzaldehyde (6630-33-7) → 2-bromocinnamic acid (7345-79-1,20595-39-5,7499-56-1)

Guidance literature:

With piperidine; pyridine; at 100 ℃; for 3h;

DOI:10.1002/chem.201601584

Reference yield:

→ 2-bromocinnamic acid (7345-79-1,20595-39-5,7499-56-1)

Guidance literature:

With hydrogen bromide; copper;

Reference yield:

2-amino-cinnamic acid (1664-63-7) → 2-bromocinnamic acid (7345-79-1,20595-39-5,7499-56-1)

Guidance literature:

ueber das Diazoniumnitrat und Erwaermen mit Bromwasserstoffsaeure;

upstream raw materials:

2-amino-cinnamic acid

2-benzylidenemalonic acid

bromine

(2-bromo-benzylidene)-malonic acid

Downstream raw materials:

3-(2-bromophenyl)propionic acid

2-sulfo-cinnamic acid

2-(2-Bromo-phenyl)-2,3-dihydro-5H-benzo[b][1,4]thiazepin-4-one

(E)-3-(2-bromophenyl)-2-propen-1-ol

Refernces

• 1、 Wang, Guojin,Tang, Yu,Zhang, Yu,Liu, Xiaohua,Lin, Lili,Feng, Xiaoming. "Enantioselective Synthesis of N?H-Free 1,5-Benzothiazepines". supporting information. p. 554 - 557. Retrieved 2017/01/18.
• 2、 Percy, Jonathan M.,Emerson, Helena,Fyfe, James W. B.,Kennedy, Alan R.,Maciuk, Sergej,Orr, David,Rathouská, Lucie,Redmond, Joanna M.,Wilson, Peter G.. "Modular Construction of Fluoroarenes from a New Difluorinated Building Block by Cross-Coupling/Electrocyclisation/Dehydrofluorination Reactions". supporting information. p. 12166 - 12175. Retrieved 2016/08/16.