trans-2,4-DichlorocinnamicAcid

Base Information

• Chemical Name: trans-2,4-DichlorocinnamicAcid
• CAS No.: 1201-99-6
• Molecular Formula: C₉H₆Cl₂O₂
• Molecular Weight: 217.051
• DSSTox Substance ID: DTXSID00870866
• Mol file: 1201-99-6.mol

Synonyms:trans-2,4-DichlorocinnamicAcid;DTXSID00870866;A4477;FT-0610057;FT-0612671

Chemical Property of trans-2,4-DichlorocinnamicAcid

Chemical Property:

• Vapor Pressure: 8.61E-06mmHg at 25°C
• Melting Point: 233-237ºC
• Boiling Point: 359.4ºC at 760mmHg
• PKA: 4.17±0.13(Predicted)
• Flash Point: 171.2ºC
• PSA: 37.30000
• Density: 1.457g/cm3
• LogP: 3.09120
• Storage Temp.: Sealed in dry,Room Temperature
• XLogP3: 3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 215.9744848
• Heavy Atom Count: 13
• Complexity: 216

Purity/Quality:

97% ^*data from raw suppliers

2,4-DichlorocinnamicAcid ^*data from reagent suppliers

Safty Information:

• Pictogram(s): R37/38:Irritating to respiratory system and skin.
• Hazard Codes: Xi
• Statements: 37/38
• Safety Statements: 37/39-26

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=C(C=C1Cl)Cl)C=CC(=O)O

Technology Process of trans-2,4-DichlorocinnamicAcid

There total 18 articles about trans-2,4-DichlorocinnamicAcid 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%

malonic acid (141-82-2) + 2,4-dichlorobenzaldeyhde (874-42-0) → 2,4-dichlorocinnamic acid (20595-45-3,20595-46-4,1201-99-6)

Guidance literature:

With pyridine; at 100 ℃;

DOI:10.1021/acs.jmedchem.7b01444

Reference yield: 98.0%

cycl-isopropylidene malonate (2033-24-1) + 2,4-dichlorobenzaldeyhde (874-42-0) → 2,4-dichlorocinnamic acid (20595-45-3,20595-46-4,1201-99-6)

Guidance literature:

With hydroxy sulfonylurea; In neat (no solvent); at 110 ℃; for 0.0833333h; Reagent/catalyst; Green chemistry;

DOI:10.1039/c5ra14001c

Reference yield: 96.0%

malonic acid (141-82-2) + 2,4-dichlorobenzaldeyhde (874-42-0) → trans-2,4-dichlorocinnamic acid (1201-99-6,20595-45-3,20595-46-4)

Guidance literature:

With ammonium acetate; for 0.0666667h; Irradiation;

upstream raw materials:

(2-carboxyethyl) triphenylphosphoniumbromide

2,4-dichlorobenzaldeyhde

malonic acid

acetic anhydride

Downstream raw materials:

ethyl 3-(2,4-dichlorophenyl)propanoate

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

methyl 2,4-dichlorocinnamate

3-(2,4-dichlorophenyl)prop-2-en-1-oyl chloride