Phosphoric acid, 1-cyclohexen-1-yl diethyl ester

Base Information

• Chemical Name: Phosphoric acid, 1-cyclohexen-1-yl diethyl ester
• CAS No.: 4452-32-8
• Molecular Formula: C10H19O4P
• Molecular Weight: 234.232
• NSC Number: 106092
• DSSTox Substance ID: DTXSID60196211
• Wikidata: Q83069282

Synonyms:Shell SD-2218;1-Cyclohexen-1-yl diethyl phosphate;ENT 25,692;SD 2218;Phosphoric acid, 1-cyclohexen-1-yl diethyl ester;4452-32-8;1-Cyclohexen-1-yl ethyl phosphate;NSC 106092;BRN 2051993;AI3-25692;4-06-00-00195 (Beilstein Handbook Reference);Shell SD 2218;C10H19O4P;DTXSID60196211;WLN: L6TJ AOPO&O2&O2;NSC106092;NSC-106092;LS-107603;1-Cyclohexen-1-yl ethyl phosphate, (C6H9O)(EtO)2PO

Chemical Property of Phosphoric acid, 1-cyclohexen-1-yl diethyl ester

Chemical Property:

• Vapor Pressure: 0.00823mmHg at 25°C
• Boiling Point: 276.1°Cat760mmHg
• Flash Point: 134.8°C
• Density: 1.09g/cm³
• XLogP3: 2.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 6
• Exact Mass: 234.10209608
• Heavy Atom Count: 15
• Complexity: 252

Purity/Quality:

97% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCOP(=O)(OCC)OC1=CCCCC1

Technology Process of Phosphoric acid, 1-cyclohexen-1-yl diethyl ester

There total 5 articles about Phosphoric acid, 1-cyclohexen-1-yl diethyl ester 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: 88.0%

cyclohexanone (108-94-1,11119-77-0,9003-41-2,9075-99-4) + diethyl chlorophosphate (814-49-3) → diethylcyclohexenylphosphate (4452-32-8)

Guidance literature:

cyclohexanone; With potassium hexamethylsilazane; In tetrahydrofuran; at -78 ℃; for 0.5h; Inert atmosphere;

diethyl chlorophosphate; In tetrahydrofuran; at -78 ℃; for 2h; Inert atmosphere;

DOI:10.1002/anie.201910397

Reference yield: 84.0%

cyclohex-1-en-1-yl trifluoromethane sulfonate (28075-50-5) + diethyl phosphite potassium salt (54058-00-3) → diethylcyclohexenylphosphate (4452-32-8)

Guidance literature:

In ammonia; at -33 ℃; for 32h;

DOI:10.1021/jo00165a019

Reference yield:

2-Chlorocyclohexanone (822-87-7) + triethyl phosphite (122-52-1) → diethylcyclohexenylphosphate (4452-32-8)

Guidance literature:

DOI:10.1021/jo00913a008

upstream raw materials:

2-Chlorocyclohexanone

triethyl phosphite

2-bromocyclohexanone

cyclohex-1-en-1-yl trifluoromethane sulfonate

Downstream raw materials:

1-cyclohex-1-enyl-4-methylbenzene

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