Ethyl 5-diethoxyphosphorylpentanoate

Base Information

• Chemical Name: Ethyl 5-diethoxyphosphorylpentanoate
• CAS No.: 2323-74-2
• Molecular Formula: C₁₁H₂₃O₅P
• Molecular Weight: 266.274
• Hs Code.: 2931900090
• DSSTox Substance ID: DTXSID20378657
• Wikidata: Q72461913
• Mol file: 2323-74-2.mol

Synonyms:2323-74-2;Ethyl 5-diethoxyphosphorylpentanoate;Ethyl 5-(diethoxyphosphoryl)pentanoate;Diethyl[4-(ethoxycarbonyl)butyl]phosphonate;Pentanoic acid, 5-(diethoxyphosphinyl)-, ethyl ester;DIETHYL [4-(ETHOXYCARBONYL)BUTYL]PHOSPHONATE;SCHEMBL4931741;DTXSID20378657;BUDJSZHTNJUBIM-UHFFFAOYSA-N;MFCD01631209;AKOS017343326;Diethyl [4-(ethoxycarbonyl)but-1-yl]phosphonate

Chemical Property of Ethyl 5-diethoxyphosphorylpentanoate

Chemical Property:

• Vapor Pressure: 0.000138mmHg at 25°C
• Refractive Index: 1.433
• Boiling Point: 333.2 °C at 760 mmHg
• Flash Point: 169.1 °C
• PSA: 71.64000
• Density: 1.063 g/cm³
• LogP: 2.98590
• XLogP3: 1.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 11
• Exact Mass: 266.12831083
• Heavy Atom Count: 17
• Complexity: 244

Purity/Quality:

98%Min ^*data from raw suppliers

DIETHYL[2-(ETHOXYCARBONYL)BUTYL]PHOSPHONATE 95.00% ^*data from reagent suppliers

Safty Information:

• Statements: 36/37/38
• Safety Statements: 26-36/37/39

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCOC(=O)CCCCP(=O)(OCC)OCC

Technology Process of Ethyl 5-diethoxyphosphorylpentanoate

There total 3 articles about Ethyl 5-diethoxyphosphorylpentanoate 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:

3,4,5,6-tetrahydro-2H-pyran-2-one (542-28-9,26354-94-9) → <δ-Aethoxycarbonyl-butyl>-phosphonsaeure-diaethylester (2323-74-2)

Guidance literature:

Multi-step reaction with 2 steps

1: ZnCl₂, HCl

2: 180 - 200 °C

With hydrogenchloride; zinc(II) chloride;

Reference yield:

ethyl 5-chloropentanoate (2323-81-1) + triethyl phosphite (122-52-1) → <δ-Aethoxycarbonyl-butyl>-phosphonsaeure-diaethylester (2323-74-2)

Guidance literature:

at 180 - 200 ℃;

Reference yield:

ethyl 5-chloropentanoate (2323-81-1) + phosphonic acid diethyl ester (762-04-9) → <δ-Aethoxycarbonyl-butyl>-phosphonsaeure-diaethylester (2323-74-2)

Guidance literature:

Multistep reaction; (i) Na, THF, (ii) /BRN= 1752021/;

upstream raw materials:

ethyl 5-chloropentanoate

phosphonic acid diethyl ester

triethyl phosphite

3,4,5,6-tetrahydro-2H-pyran-2-one

Downstream raw materials:

5-Diaethoxyphosphinyl-valeriansaeure

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