1,9-ditert-butyl-3,7-dimethyl-11-phenoxy-5H-benzo[d][1,3,2]benzodioxaphosphocine

Base Information

• Chemical Name: 1,9-ditert-butyl-3,7-dimethyl-11-phenoxy-5H-benzo[d][1,3,2]benzodioxaphosphocine
• CAS No.: 34573-99-4
• Molecular Formula: C29H35O3P
• Molecular Weight: 462.569
• DSSTox Substance ID: DTXSID00365661
• Nikkaji Number: J1.024.857D
• Wikidata: Q82150502

Synonyms:4,8-di-tert-butyl-2,10-dimethyl-6-phenoxy-12H-dibenzo[d,g][1,3,2]dioxaphosphocine;Stafor 11;SCHEMBL10627261;DTXSID00365661;STK064942;AKOS005388885;1,9-ditert-butyl-3,7-dimethyl-11-phenoxy-5H-benzo[d][1,3,2]benzodioxaphosphocine;34573-99-4

Chemical Property of 1,9-ditert-butyl-3,7-dimethyl-11-phenoxy-5H-benzo[d][1,3,2]benzodioxaphosphocine

Chemical Property:

• Vapor Pressure: 2.55E-09mmHg at 25°C
• Boiling Point: 491.3°Cat760mmHg
• Flash Point: 313.5°C
• Density: g/cm³
• XLogP3: 9.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 462.23238197
• Heavy Atom Count: 33
• Complexity: 588

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC2=C(C(=C1)C(C)(C)C)OP(OC3=C(C2)C=C(C=C3C(C)(C)C)C)OC4=CC=CC=C4

Technology Process of 1,9-ditert-butyl-3,7-dimethyl-11-phenoxy-5H-benzo[d][1,3,2]benzodioxaphosphocine

There total 3 articles about 1,9-ditert-butyl-3,7-dimethyl-11-phenoxy-5H-benzo[d][1,3,2]benzodioxaphosphocine 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:

phenyl phosphorodichloridite (3426-89-9) + 2,2'-dihydroxy-5,5'-dimethyl-3,3'-di-tert-burtyl-1,1'-diphenylmethane (119-47-1) → 4,8-bis(1,1-dimethylethyl)-2,10-dimethyl-6-phenoxy-12H-dibenzo<1.3.2>dioxaphosphocin (34573-99-4)

Guidance literature:

With triethylamine; In hexane;

DOI:10.1002/prac.19923340407

Reference yield:

2,2'-methylenebis(6-tert-butyl-4-methyl-o-phenylene) phosphorochloridite (106054-14-2) + phenol (108-95-2,27073-41-2) → 4,8-bis(1,1-dimethylethyl)-2,10-dimethyl-6-phenoxy-12H-dibenzo<1.3.2>dioxaphosphocin (34573-99-4)

Guidance literature:

With triethylamine;

DOI:10.1021/jo035634d

Reference yield:

→ 4,8-bis(1,1-dimethylethyl)-2,10-dimethyl-6-phenoxy-12H-dibenzo<1.3.2>dioxaphosphocin (34573-99-4)

Guidance literature:

2,2'-Methylenbis-(6-t-butyl-p-cresol), Triphenylphosphit;

upstream raw materials:

phenyl phosphorodichloridite

2,2'-dihydroxy-5,5'-dimethyl-3,3'-di-tert-burtyl-1,1'-diphenylmethane

2,2'-methylenebis(6-tert-butyl-4-methyl-o-phenylene) phosphorochloridite

phenol

Downstream raw materials:

1-methyl-1-phenylethyl alcohol

4,8-Di-tert-butyl-2,10-dimethyl-6-phenoxy-12H-5,7-dioxa-6-phospha-dibenzo[a,d]cyclooctene 6-oxide

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