(1-Hydroxy-2-methylpropyl)phosphonic acid diethyl ester

Base Information

• Chemical Name: (1-Hydroxy-2-methylpropyl)phosphonic acid diethyl ester
• CAS No.: 74038-47-4
• Molecular Formula: C8H19O4P
• Molecular Weight: 210.21
• NSC Number: 203357
• DSSTox Substance ID: DTXSID101242658
• Nikkaji Number: J92.081I
• Mol file: 74038-47-4.mol

Synonyms:74038-47-4;(1-Hydroxy-2-methylpropyl)phosphonic acid diethyl ester;1-diethoxyphosphoryl-2-methylpropan-1-ol;Diethyl-alpha-hydroxyisobutylphosphonate;NSC 203357;BRN 1908505;Phosphonic acid, (1-hydroxy-2-methylpropyl)-, diethyl ester;diethyl (1-hydroxy-2-methylpropyl)phosphonate;Diethyl-.alpha.-hydroxyisobutylphosphonate;SCHEMBL9050380;DTXSID101242658;WLN: 2OPO&O2&YQY1&1;NSC203357;NSC-203357;LS-106645;Diethyl P-(1-hydroxy-2-methylpropyl)phosphonate;EN300-21626470;1-Hydroxy-2-methylpropylphosphonic acid diethyl ester

Chemical Property of (1-Hydroxy-2-methylpropyl)phosphonic acid diethyl ester

Chemical Property:

• Vapor Pressure: 0.00049mmHg at 25°C
• Boiling Point: 279.3°Cat760mmHg
• Flash Point: 122.7°C
• PSA: 65.57000
• Density: 1.074g/cm³
• LogP: 2.22690
• XLogP3: 1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 6
• Exact Mass: 210.10209608
• Heavy Atom Count: 13
• Complexity: 171

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCOP(=O)(C(C(C)C)O)OCC

Technology Process of (1-Hydroxy-2-methylpropyl)phosphonic acid diethyl ester

There total 1 articles about (1-Hydroxy-2-methylpropyl)phosphonic acid 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: 83.0%

isobutyraldehyde (78-84-2) + triethyl phosphite (122-52-1) → diethyl (1-hydroxy-2-methylpropyl)phosphonate (74038-47-4) + phosphonic acid diethyl ester (762-04-9)

Guidance literature:

With hydrogenchloride; In diethyl ether; dichloromethane; at -10 ℃; for 1h;

DOI:10.1055/s-2006-950200

Reference yield: 68.0%

diethyl (1-hydroxy-2-methylpropyl)phosphonate (74038-47-4) + 4-Nitrobenzenesulfonyl chloride (98-74-8) → diethyl 1-(4-nitrobenzenesulfonyloxy)-2-methylpropylphosphonate (1023289-18-0)

Guidance literature:

With dmap; triethylamine; In dichloromethane; at 0 - 20 ℃;

DOI:10.1080/00397910701863483

Reference yield:

diethyl (1-hydroxy-2-methylpropyl)phosphonate (74038-47-4) + (2S)-2-(4-isobutylphenyl)-propionyl chloride (115588-20-0) → (S)-2-(4-Isobutyl-phenyl)-propionic acid (R)-1-(diethoxy-phosphoryl)-2-methyl-propyl ester + (S)-2-(4-Isobutyl-phenyl)-propionic acid (S)-1-(diethoxy-phosphoryl)-2-methyl-propyl ester

Guidance literature:

With pyridine; In chloroform; at 20 ℃; for 1h;

DOI:10.1016/S0957-4166(02)00186-6

upstream raw materials:

isobutyraldehyde

triethyl phosphite

Downstream raw materials:

diethyl 1-(4-nitrobenzenesulfonyloxy)-2-methylpropylphosphonate

diethyl 1-hydroxy-2-methylpropylphosphonate

C₁₅H₂₃O₅P

C₁₅H₂₃O₅P

Refernces