DDE-OH

Base Information

• Chemical Name: DDE-OH
• CAS No.: 94142-97-9
• Molecular Formula: C10H14O3
• Molecular Weight: 182.219
• Hs Code.: 2914400090
• Mol file: 94142-97-9.mol

Synonyms:DdeOH;2-(1-Hydroxyethylidene)-5,5-dimethylcyclohexane-1,3-dione;2-(1-Hydroxy-ethylidene)-5,5-dimethyl-cyclohexane-1,3-dione;2-Isopropylidene-5,5-dimethyl-1,3-cyclohexanedione;

Chemical Property of DDE-OH

Chemical Property:

• Vapor Pressure: 1.17E-05mmHg at 25°C
• Melting Point: 35-36 °C
• Refractive Index: 1.49
• Boiling Point: 289.984 °C at 760 mmHg
• PKA: 4.50±1.00(Predicted)
• Flash Point: 143.413 °C
• PSA: 54.37000
• Density: 1.134 g/cm³
• LogP: 1.77660
• Storage Temp.: 2-8°C

Purity/Quality:

99% ^*data from raw suppliers

2-(1-Hydroxyethylidene)-5,5-dimethylcyclohexane-1,3-dione ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

Technology Process of DDE-OH

There total 2 articles about DDE-OH 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: 90.0%

dimedone (126-81-8) + acetic acid (64-19-7,77671-22-8) → 2-(1-hydroxyethylidene)-5,5-dimethylcyclohexane-1,3-dione (94142-97-9)

Guidance literature:

With dmap; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; In dichloromethane; at 20 ℃; for 4h;

DOI:10.1021/acs.jmedchem.0c02217

Reference yield: 77.0%

dimedone (126-81-8) + acetyl chloride (75-36-5) → 2-(1-hydroxyethylidene)-5,5-dimethylcyclohexane-1,3-dione (94142-97-9)

Guidance literature:

dimedone; acetyl chloride; With pyridine; In dichloromethane; at 0 - 20 ℃; for 8h;

With aluminum (III) chloride; In dichloromethane; at 20 ℃; for 7h;

DOI:10.1016/j.bmc.2016.12.033

Reference yield: 97.0%

2-(1-hydroxyethylidene)-5,5-dimethylcyclohexane-1,3-dione (94142-97-9) + C19H27Cl2N3O3 → C24H31Cl2N3O3

Guidance literature:

C₁₉H₂₇Cl₂N₃O₃; With hydrogenchloride; In tetrahydrofuran; water; at 20 - 80 ℃; for 2h;

2-(1-hydroxyethylidene)-5,5-dimethylcyclohexane-1,3-dione; With N-ethyl-N,N-diisopropylamine; In methanol; dichloromethane; at 20 ℃; for 12h;

DOI:10.1021/acsinfecdis.6b00202

upstream raw materials:

dimedone

acetic acid

acetyl chloride

Downstream raw materials:

5,5-dimethyl-2-<1-(pyrrolidino)ethylidene>cyclohexane-1,3-dione

2-aminoacetyldimedone

Fmoc-Lys(Dde)-OH

C₃₀H₅₀N₄O₄

Refernces

• 1、 -. "Preparation method of N alpha-fluorenylmethoxycarbonyl-N gamma-(4, 4-dimethyl-2,6-dioxocyclohexylidene) ethyl-butyric acid". Paragraph 0017-0020. . Retrieved 2019/10/17.
• 2、 -. "OPTICAL IMAGING PROBES". Paragraph 0155; 0156. . Retrieved 2014/05/20.