CID 5355900

Base Information

• Chemical Name: CID 5355900
• CAS No.: 93043-89-1
• Molecular Formula: C12H20O4
• Molecular Weight: 228.2848
• NSC Number: 46820
• Mol file: 93043-89-1.mol

Synonyms:NSC46820;93043-89-1;NSC-46820

Chemical Property of CID 5355900

Chemical Property:

• Vapor Pressure: 0.0271mmHg at 25°C
• Boiling Point: 246.5°Cat760mmHg
• Flash Point: 106.7°C
• Density: 1.001g/cm³
• XLogP3: 2.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 8
• Exact Mass: 228.13615911
• Heavy Atom Count: 16
• Complexity: 240

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCOC(=O)C(C(C)C=CC)C(=O)OCC
• Isomeric SMILES: CCOC(=O)C(C(C)/C=C\C)C(=O)OCC

Technology Process of CID 5355900

There total 5 articles about CID 5355900 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: 35.0%

(1-methyl-but-2-enyl)-phenyl sulfide (17417-79-7) + sodium diethylmalonate (996-82-7) → diethyl 1-methyl-2-butenylmalonate (93043-89-1)

Guidance literature:

With hexacarbonyl molybdenum; In 1,4-dioxane; at 110 ℃; for 65h;

DOI:10.1016/S0040-4039(00)95751-4

Reference yield:

3-penten-2-yl acetate (19248-95-4,19248-96-5,29393-13-3,31001-80-6,131616-47-2,146566-17-8,148553-12-2,150849-57-3,10500-12-6) + malonic acid dimethyl ester (108-59-8) → diethyl 1-methyl-2-butenylmalonate (93043-89-1)

Guidance literature:

With N,O-bis-(trimethylsilyl)-acetamide; bis(η3-allyl-μ-chloropalladium(II)); C₅₄H₆₅N₂O₈P; potassium acetate; In N,N-dimethyl-formamide; at 20 ℃; for 6h; Inert atmosphere;

DOI:10.1016/j.tetasy.2013.06.011

Reference yield:

4-phenylthio-2-pentene (1129-51-7) + diethyl malonate (105-53-3) → diethyl 1-methyl-2-butenylmalonate (93043-89-1)

Guidance literature:

With hexacarbonyl molybdenum; sodium hydride; Yield given. Multistep reaction; 1.) dioxane, 2.) dioxane, 65 h, reflux;

DOI:10.1246/bcsj.62.2913

upstream raw materials:

diethyl ethylidenemalonate

1-propenylmagnesium bromide

(1-methyl-but-2-enyl)-phenyl sulfide

sodium diethylmalonate

Downstream raw materials:

2,3-Dimethyl-1,4-hexadien