Dipropan-2-yl (4-methylphenyl)phosphonate

Base Information

• Chemical Name: Dipropan-2-yl (4-methylphenyl)phosphonate
• CAS No.: 20677-08-1
• Molecular Formula: C13H21O3P
• Molecular Weight: 256.282
• DSSTox Substance ID: DTXSID80577725
• Nikkaji Number: J721.720J
• Wikidata: Q82467805
• Mol file: 20677-08-1.mol

Synonyms:20677-08-1;Dipropan-2-yl (4-methylphenyl)phosphonate;SCHEMBL22533499;DTXSID80577725

Chemical Property of Dipropan-2-yl (4-methylphenyl)phosphonate

Chemical Property:

• XLogP3: 3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 5
• Exact Mass: 256.12283153
• Heavy Atom Count: 17
• Complexity: 254

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC=C(C=C1)P(=O)(OC(C)C)OC(C)C

Technology Process of Dipropan-2-yl (4-methylphenyl)phosphonate

There total 11 articles about Dipropan-2-yl (4-methylphenyl)phosphonate 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: 100.0%

p-Tolylphosphinsaeure-diisopropylester (67103-63-3) → diisopropyl (4-methylphenyl)phosphonate (20677-08-1)

Guidance literature:

With water; 7,7',8,8'-tetracyanoquinodimethane; In acetonitrile; at 25 ℃; Rate constant;

Reference yield: 99.0%

diisopropyl hydrogenphosphonate (1809-20-7) + para-chlorotoluene (106-43-4) → diisopropyl (4-methylphenyl)phosphonate (20677-08-1)

Guidance literature:

With potassium fluoride; {(Pd{Fe(η5-C5H5)(η5-C5H3C(CH3)=NC6H4CH3-4)}(μ-Cl))2}; tetrabutylammomium bromide; isopropyl alcohol; XPhos; In water; for 16h; Inert atmosphere; Reflux; Green chemistry;

DOI:10.1039/c3gc00030c

Reference yield: 97.0%

diisopropyl hydrogenphosphonate (1809-20-7) + BF4(1-)*C10H16N(1+) → diisopropyl (4-methylphenyl)phosphonate (20677-08-1)

Guidance literature:

With bis(1,5-cyclooctadiene)nickel ⁽⁰⁾; potassium phosphate; 2-(di-tert-butylphosphaneyl)-4-methoxy-N,N-dimethylaniline; In tetrahydrofuran; acetonitrile; at 80 ℃; for 5h; Schlenk technique; Inert atmosphere;

DOI:10.1134/S1070428021060117

upstream raw materials:

diphenyl trisulfide

p-Tolylphosphinsaeure-diisopropylester

triisopropyl phosphite

toluene