2-[Di(propan-2-yl)amino]ethylsulfanyl-methylphosphinic acid

Base Information

• Chemical Name: 2-[Di(propan-2-yl)amino]ethylsulfanyl-methylphosphinic acid
• CAS No.: 73207-98-4
• Molecular Formula: C9H22 N O2 P S
• Molecular Weight: 239.319
• UNII: 5J7SBT85UY
• DSSTox Substance ID: DTXSID00223454
• Nikkaji Number: J364.329H
• Wikipedia: EA-2192
• Wikidata: Q56438644
• Mol file: 73207-98-4.mol

Synonyms:compound A4;diisopropylaminoethyl methyl thiolophosphonate

Chemical Property of 2-[Di(propan-2-yl)amino]ethylsulfanyl-methylphosphinic acid

Chemical Property:

• Vapor Pressure: 3.46E-05mmHg at 25°C
• Boiling Point: 329.5°C at 760 mmHg
• PKA: 1.92±0.50(Predicted)
• Flash Point: 153.1°C
• PSA: 75.65000
• Density: 1.084g/cm³
• LogP: 2.65360
• XLogP3: -1.3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 6
• Exact Mass: 239.11088712
• Heavy Atom Count: 14
• Complexity: 201

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)N(CCSP(=O)(C)O)C(C)C

Technology Process of 2-[Di(propan-2-yl)amino]ethylsulfanyl-methylphosphinic acid

There total 5 articles about 2-[Di(propan-2-yl)amino]ethylsulfanyl-methylphosphinic acid 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: 87.0%

O-ethyl S-(2-diisopropylaminoethyl) methylphosphonothiolate (65143-05-7,65167-63-7,65167-64-8,50782-69-9,51848-47-6,53800-40-1,70938-84-0) → ethyl methylphosphonic acid (1832-53-7) + S-<2-(diisopropylamino)ethyl> methylphosphonothioic acid (73207-98-4)

Guidance literature:

With sodium hydroxide; In water; at 22 ℃;

DOI:10.1021/ic200007v

Reference yield:

O-ethyl S-(2-diisopropylaminoethyl) methylphosphonothiolate (65143-05-7,65167-63-7,65167-64-8,50782-69-9,51848-47-6,53800-40-1,70938-84-0) → methylphosphonic acid (993-13-5) + ethyl methylphosphonic acid (1832-53-7) + S-<2-(diisopropylamino)ethyl> methylphosphonothioic acid (73207-98-4)

Guidance literature:

With aluminum oxide; potassium fluoride; water; at 20 ℃; Reagent/catalyst; Concentration; Reactivity;

DOI:10.1021/jo8019972

Reference yield:

methanol (67-56-1) + O-ethyl S-(2-diisopropylaminoethyl) methylphosphonothiolate (65143-05-7,65167-63-7,65167-64-8,50782-69-9,51848-47-6,53800-40-1,70938-84-0) → methylphosphonic acid (993-13-5) + ethyl methylphosphonic acid (1832-53-7) + O-ethyl O-methyl methylphosphonate (18755-36-7) + S-<2-(diisopropylamino)ethyl> methylphosphonothioic acid (73207-98-4)

Guidance literature:

With aluminum oxide; potassium fluoride; water; Reagent/catalyst; Reactivity;

DOI:10.1021/jo8019972

upstream raw materials:

methanol

O-ethyl S-(2-diisopropylaminoethyl) methylphosphonothiolate

Downstream raw materials:

methylphosphonic acid

ethyl methylphosphonic acid

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