Phosphonium, (chloromethyl)triphenyl-, bromide

Base Information

• Chemical Name: Phosphonium, (chloromethyl)triphenyl-, bromide
• CAS No.: 111441-95-3
• Molecular Formula: C19H17ClP.Br
• Molecular Weight: 391.675
• DSSTox Substance ID: DTXSID90460013
• Mol file: 111441-95-3.mol

Synonyms:Phosphonium, (chloromethyl)triphenyl-, bromide;111441-95-3;SCHEMBL3325017;DTXSID90460013

Chemical Property of Phosphonium, (chloromethyl)triphenyl-, bromide

Chemical Property:

• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 4
• Exact Mass: 389.99398
• Heavy Atom Count: 22
• Complexity: 253

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: C1=CC=C(C=C1)[P+](CCl)(C2=CC=CC=C2)C3=CC=CC=C3.[Br-]

Technology Process of Phosphonium, (chloromethyl)triphenyl-, bromide

There total 2 articles about Phosphonium, (chloromethyl)triphenyl-, bromide 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: 15.0%

Methylenetriphenylphosphorane (19493-09-5) → (chloromethyl)triphenylphosphonium bromide (111441-95-3) + Methyltriphenylphosphonium bromide (1779-49-3) + Dichlormethyl-triphenyl-phosphonium-bromid (1826-86-4)

Guidance literature:

With 1,1-difluorotetrachloroethane; In diethyl ether; at -78 ℃; for 0.5h;

DOI:10.1016/S0040-4039(01)91362-0

Reference yield:

dichloromethane (75-09-2) → (chloromethyl)triphenylphosphonium bromide (111441-95-3)

Guidance literature:

In diethyl ether; Multistep reaction; (i) Ph₃P, (ii) nBuLi, HBr;

DOI:10.1021/ja01468a017

Reference yield: 86.0%

C70H60FN3O8 (1445379-45-2) + (chloromethyl)triphenylphosphonium bromide (111441-95-3) → C71H60FN3O7 (1445379-50-9)

Guidance literature:

(chloromethyl)triphenylphosphonium bromide; With n-butyllithium; In tetrahydrofuran; at -78 - 0 ℃; for 2h;

C₇₀H₆₀FN₃O₈; In tetrahydrofuran; at 20 ℃; for 16h;

With n-butyllithium; In tetrahydrofuran; at -78 ℃; for 5h;

upstream raw materials:

dichloromethane

Methylenetriphenylphosphorane

Downstream raw materials:

(chloromethylene)triphenylphosphorane

β-chloro-α-methylstyrene

(E)-2-(1-chloroprop-1-en-2-yl)aniline

C₇₁H₆₀FN₃O₇