Einecs 218-430-4

Base Information

• Chemical Name: Einecs 218-430-4
• CAS No.: 2150-52-9
• Molecular Formula: C17H14 O3
• Molecular Weight: 266.296
• Hs Code.: 2914501900
• European Community (EC) Number: 218-430-4
• Mol file: 2150-52-9.mol

Synonyms:1,5-Bis(2-hydroxyphenyl)penta-1,4-dien-3-one;SCHEMBL1160535;2150-52-9;EINECS 218-430-4;NSC 86716

Chemical Property of Einecs 218-430-4

Chemical Property:

• Vapor Pressure: 1.92E-10mmHg at 25°C
• Melting Point: 1590 °C
• Boiling Point: 495.5°Cat760mmHg
• PKA: 9.08±0.35(Predicted)
• Flash Point: 267.6°C
• PSA: 57.53000
• Density: 1.269g/cm³
• LogP: 3.39350
• XLogP3: 3.4
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 266.094294304
• Heavy Atom Count: 20
• Complexity: 338

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C(=C1)C=CC(=O)C=CC2=CC=CC=C2O)O
• Isomeric SMILES: C1=CC=C(C(=C1)/C=C/C(=O)/C=C\C2=CC=CC=C2O)O

Technology Process of Einecs 218-430-4

There total 14 articles about Einecs 218-430-4 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: 95.16%

salicylaldehyde (90-02-8) + acetone (67-64-1) → (1E,4E)-1,5-bis(2-hydroxyphenyl)penta-1,4-dien-3-one (2150-52-9)

Guidance literature:

With 1-hexyl-3-methylimidazolium 2-hydroxybenzoate; In water; at 40 ℃; for 0.166667h; Sonication;

DOI:10.1016/j.molliq.2019.112372

Reference yield: 80.0%

salicylaldehyde (90-02-8) + acetone (67-64-1) → bis(2-hydroxybenzylidene)acetone (131359-24-5,2150-52-9)

Guidance literature:

With sodium hydroxide; In ethanol; water; at 25 ℃; for 0.75h;

Reference yield: 75.0%

2-methyl-benzyl alcohol (89-95-2) + acetone (67-64-1) → (1E,4E)-1,5-bis(2-hydroxyphenyl)penta-1,4-dien-3-one (2150-52-9)

Guidance literature:

With sodium hydroxide; In ethanol; water; at 20 ℃; for 48h;

DOI:10.1016/j.bmc.2004.05.006

upstream raw materials:

4-(2-hydroxyphenyl)but-3-en-2-one

Dehydrozingerone

salicylaldehyde

acetone

Downstream raw materials:

1,5-bis(2-methoxyphenyl) penta-1,4-dien-3-one

cis-2,6-bis-(2-hydroxy-phenyl)-piperidin-4-one

2r,6c-bis-(2-hydroxy-phenyl)-1-methyl-piperidin-4-one

salicylaldehyde

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