3-Chloro-2-oxopropyl triphenylphosphonium chloride

Base Information

• Chemical Name: 3-Chloro-2-oxopropyl triphenylphosphonium chloride
• CAS No.: 13605-65-7
• Molecular Formula: C21H19ClOP.Cl
• Molecular Weight: 389.261
• Hs Code.: 2931900090
• European Community (EC) Number: 695-261-6
• Mol file: 13605-65-7.mol

Synonyms:3-CHLORO-2-OXOPROPYL TRIPHENYLPHOSPHONIUM CHLORIDE;78114-46-2;13605-65-7;(3-Chloro-2-oxopropyl)triphenylphosphonium chloride;(3-chloro-2-oxopropyl)-triphenylphosphanium;chloride;MFCD00050253;(3-chloro-2-oxo-propyl)-triphenyl-phosphonium chloride;(3-chloro-2-oxopropyl)triphenylphosphanium chloride;SCHEMBL6576644;HLQOHQLJKMAQPH-UHFFFAOYSA-M;AKOS017345154;(chloroacetonyl)triphenylphosphonium chloride;FT-0641664;EN300-749273;(3-Chloro-2-oxopropyl)triphenylphosphoniumchloride;A839339;(3-chloro-2-oxopropyl)-triphenylphosphonium chloride;(3-chloranyl-2-oxidanylidene-propyl)-triphenyl-phosphanium chloride

Chemical Property of 3-Chloro-2-oxopropyl triphenylphosphonium chloride

Chemical Property:

• PSA: 30.66000
• LogP: 0.79240
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 6
• Exact Mass: 388.0550576
• Heavy Atom Count: 25
• Complexity: 347

Purity/Quality:

98%min ^*data from raw suppliers

3-CHLORO-2-OXOPROPYL TRIPHENYLPHOSPHONIUM CHLORIDE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 3-Chloro-2-oxopropyl triphenylphosphonium chloride

There total 2 articles about 3-Chloro-2-oxopropyl triphenylphosphonium 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: 98.0%

1,3-Dichloroacetone (534-07-6) + triphenylphosphine (603-35-0) → (3-chloro-2-oxopropyl)triphenylphosphonium chloride (13605-65-7)

Guidance literature:

In tetrahydrofuran; for 24h; Reflux;

DOI:10.1016/j.tetlet.2009.10.134

Reference yield:

→ (3-chloro-2-oxopropyl)triphenylphosphonium chloride (13605-65-7)

Guidance literature:

Reference yield: 98.0%

(3-chloro-2-oxopropyl)triphenylphosphonium chloride (13605-65-7) → 1-chloro-3-(triphenylphosphoranylidene)acetone (13605-66-8)

Guidance literature:

With sodium carbonate; In methanol; at 20 ℃; for 0.75h;

DOI:10.1016/j.tet.2007.03.066

upstream raw materials:

1,3-Dichloroacetone

triphenylphosphine

Downstream raw materials:

1-chloro-3-(triphenylphosphoranylidene)acetone

(2-oxo-3-morpholino)propyltriphenylphosphonium chloride hydrochloride

3-<3-(2-Oxopropyl)thio><1,2,4>triazolyltriphenylphosphonium chloride hydrochloride

tert-butyl but-3-en-1-yl[2-oxo-3-(triphenyl-λ⁵-phosphoranylidene)prop-1-yl]carbamate

Refernces

• 1、 Henichart, J. P.,Houssin, R.,Vaccher, C.,Foulon, M.,Baert, F.. "CHLOROACETONYLTRIPHENYLPHOSPHONIUM ET PHOSPHORANNE CORRESPONDANT, ETUDE PHYSICOCHIMIQUE ET CONFORMATION". . p. 283 - 294. Retrieved 1983.
• 2、 Karami, Kazem,Rahimi, Mahzad,Zakariazadeh, Mostafa,Buyukgungor, Orhan,Amirghofran, Zahra. "New phosphorus ylide palladacyclic: Synthesis, characterization, X-Ray crystal structure, biomolecular interaction studies, molecular docking and in vitro cytotoxicity evaluations". . p. 60 - 76. Retrieved 2018.
• 3、 Naghipour, Ali,Badpa, Khadijeh,Notash, Behrouz. "From phosphonium salts to binuclear ortho-palladated phosphorus ylides". . p. 349 - 353. Retrieved 2015/02/19.