Phosphonium, triphenyl[(3,4,5-trimethoxyphenyl)methyl]-, chloride

Base Information

• Chemical Name: Phosphonium, triphenyl[(3,4,5-trimethoxyphenyl)methyl]-, chloride
• CAS No.: 108683-61-0
• Molecular Formula: C28H28O3P.Cl
• Molecular Weight: 478.955
• Hs Code.: 2931900090
• European Community (EC) Number: 651-879-8
• DSSTox Substance ID: DTXSID10441622
• Mol file: 108683-61-0.mol

Synonyms:108683-61-0;Phosphonium, triphenyl[(3,4,5-trimethoxyphenyl)methyl]-, chloride;Triphenyl-[(3,4,5-trimethoxyphenyl)-methyl]-phosphonium chloride;Triphenyl(3,4,5-trimethoxybenzyl)phosphonium chloride;triphenyl-[(3,4,5-trimethoxyphenyl)methyl]phosphanium;chloride;SCHEMBL4889037;DTXSID10441622;UKSISPKRRVBOOL-UHFFFAOYSA-M;MFCD00195585;AKOS024427192;SY275256;Triphenyl(3,4,5-trimethoxybenzyl)phosphoniumchloride

Chemical Property of Phosphonium, triphenyl[(3,4,5-trimethoxyphenyl)methyl]-, chloride

Chemical Property:

• PSA: 41.28000
• LogP: 2.21050
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 8
• Exact Mass: 478.1464594
• Heavy Atom Count: 33
• Complexity: 477

Purity/Quality:

97% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1=CC(=CC(=C1OC)OC)C[P+](C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4.[Cl-]

Technology Process of Phosphonium, triphenyl[(3,4,5-trimethoxyphenyl)methyl]-, chloride

There total 3 articles about Phosphonium, triphenyl[(3,4,5-trimethoxyphenyl)methyl]-, chloride 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: 89.0%

triphenylphosphine (603-35-0) + 5-(chloromethyl)-1,2,3-trimethoxybenzene (3840-30-0) → triphenyl(3,4,5-trimethoxybenzyl)phosphonium chloride (108683-61-0)

Guidance literature:

In toluene; for 24h; Reflux; Inert atmosphere;

DOI:10.1002/ejoc.200901032

Reference yield:

(3,4,5-trimethoxyphenyl)methanol (3840-31-1) → triphenyl(3,4,5-trimethoxybenzyl)phosphonium chloride (108683-61-0)

Guidance literature:

Multi-step reaction with 2 steps

1: SOCl₂ / CHCl₃ / 1 h / 20 °C

2: 17.49 g / 1,2-dichloro-benzene / 0.08 h / Heating

With thionyl chloride; In chloroform; 1,2-dichloro-benzene;

DOI:10.1016/S0022-1139(03)00117-9

Reference yield:

3,4,5-trimethoxy-benzaldehyde (86-81-7) → triphenyl(3,4,5-trimethoxybenzyl)phosphonium chloride (108683-61-0)

Guidance literature:

Multi-step reaction with 3 steps

1: NaBH₄ / methanol / Ambient temperature

2: SOCl₂ / toluene / 0.08 h / Ambient temperature

3: xylene / 22 h / Heating

With sodium tetrahydroborate; thionyl chloride; In methanol; toluene; xylene;

DOI:10.1021/jm980572i

upstream raw materials:

triphenylphosphine

5-(chloromethyl)-1,2,3-trimethoxybenzene

(3,4,5-trimethoxyphenyl)methanol

3,4,5-trimethoxy-benzaldehyde

Downstream raw materials:

(Z)-5-(3-tert-butyldimethylsilyloxy-4-methoxystyryl)-1,2,3-trimethoxybenzene

(E)-1-(3',4',5'-Trimethoxyphenyl)-2-(4''-methoxy-3''-tert-butyldimethylsiloxyphenyl)ethene

3,4,5-trimethoxytoluene

brittonin A