3-(Ethoxymethylene)pentane-2,4-dione

Base Information

• Chemical Name: 3-(Ethoxymethylene)pentane-2,4-dione
• CAS No.: 33884-41-2
• Molecular Formula: C8H12O3
• Molecular Weight: 156.181
• Hs Code.: 29145000
• NSC Number: 46601
• DSSTox Substance ID: DTXSID00286589
• Nikkaji Number: J877.152I
• Mol file: 33884-41-2.mol

Synonyms:3-(ethoxymethylene)pentane-2,4-dione;33884-41-2;3-(ethoxymethylidene)pentane-2,4-dione;3-(ethoxymethylene)-2,4-pentanedione;3-ETHOXYMETHYLENE-2,4-PENTANEDIONE;NSC46601;SCHEMBL824578;DTXSID00286589;ITTXGKOHFZJUEX-UHFFFAOYSA-N;3-ethoxymethylene-pentan-2,4-dione;MFCD07368652;NSC-46601;STL170046;AKOS004115391;AS-62959;FT-0694575;methyl 1-methylcarbonyl-2-ethoxyvinyl ketone;3-ETHOXY METHYLENE PENTANE-2,4-DIONE;EN300-31962;InChI=1/C8H12O3/c1-4-11-5-8(6(2)9)7(3)10/h5H,4H2,1-3H

Chemical Property of 3-(Ethoxymethylene)pentane-2,4-dione

Chemical Property:

• Appearance/Colour: Clear yellow liquid
• Vapor Pressure: 0.00094mmHg at 25°C
• Refractive Index: 1.483-1.485
• Boiling Point: 303.3 °C at 760 mmHg
• Flash Point: 134.2 °C
• PSA: 43.37000
• Density: 1.01 g/cm³
• LogP: 1.08480
• Storage Temp.: 2-8°C
• XLogP3: 0.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 156.078644241
• Heavy Atom Count: 11
• Complexity: 176

Purity/Quality:

99% ^*data from raw suppliers

3-(Ethoxymethylidene)pentane-2,4-dione ^*data from reagent suppliers

Safty Information:

• Safety Statements: 24/25

MSDS Files:

Useful:

• Canonical SMILES: CCOC=C(C(=O)C)C(=O)C

Technology Process of 3-(Ethoxymethylene)pentane-2,4-dione

There total 2 articles about 3-(Ethoxymethylene)pentane-2,4-dione 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: 87.5%

orthoformic acid triethyl ester (122-51-0) + acetylacetone (123-54-6,81235-32-7) → ethoxylideneacetylacetone (33884-41-2)

Guidance literature:

With acetic anhydride; at 130 ℃; for 3h;

DOI:10.1039/a908958f

Reference yield:

diethoxymethyl triethylammonium tetrafluoroborate + acetylacetone (123-54-6,81235-32-7) → ethoxylideneacetylacetone (33884-41-2)

Guidance literature:

DOI:10.1055/s-1971-35035

Reference yield: 98.0%

ethoxylideneacetylacetone (33884-41-2) + 4-methoxybenzoic acid hydrazide (3290-99-1) → N'-(2-acetyl-3-oxobut-1-en-1-yl)-4-methoxybenzohydrazide

Guidance literature:

In methanol; at -15 ℃; for 1h;

DOI:10.1134/S1070428017030125

upstream raw materials:

orthoformic acid triethyl ester

acetylacetone

Downstream raw materials:

3-(2-nitro-2-phenyl-ethylidene)-pentane-2,4-dione

N³,N⁵-bis-(2-acetyl-3-oxo-but-1-enyl)-1-phenyl-1H-[1,2,4]triazole-3,5-diyldiamine

6-acetyl-5-methyl-1-phenyl-1H-pyrido[2,3-d]pyrimidine-2,4-dione

6-[1-(2,6-dioxo-3-phenyl-1,2,3,6-tetrahydro-pyrimidin-4-ylimino)-ethyl]-5-methyl-1-phenyl-1H-pyrido[2,3-d]pyrimidine-2,4-dione