(4-Methylbenzyl)triphenylphosphonium bromide

Base Information

• Chemical Name: (4-Methylbenzyl)triphenylphosphonium bromide
• CAS No.: 2378-86-1
• Molecular Formula: C26H24BrP
• Molecular Weight: 447.354
• Hs Code.: 2931900090
• European Community (EC) Number: 219-159-4
• NSC Number: 77141
• DSSTox Substance ID: DTXSID80946578
• ChEMBL ID: CHEMBL2041841
• Mol file: 2378-86-1.mol

Synonyms:(4-Methylbenzyl)triphenylphosphonium bromide;2378-86-1;(4-methylphenyl)methyl-triphenylphosphanium;bromide;4-methylbenzyl triphenylphosphonium bromide;SCHEMBL2447513;CHEMBL2041841;DTXSID80946578;CEEKCHGNKYVTTM-UHFFFAOYSA-M;NSC77141;MFCD00031580;NSC-77141;AKOS001032175;AB87797;(4-Methylbenzyl)triphenylphosphoniumbromide;CS-0357267;FT-0605020;A816906;[(4-Methylphenyl)methyl](triphenyl)phosphanium bromide;Z56762300

Chemical Property of (4-Methylbenzyl)triphenylphosphonium bromide

Chemical Property:

• Melting Point: 268-270°C
• PSA: 13.59000
• LogP: 2.49310
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 5
• Exact Mass: 446.07990
• Heavy Atom Count: 28
• Complexity: 372

Purity/Quality:

99% ^*data from raw suppliers

(4-METHYLBENZYL)TRIPHENYLPHOSPHONIUM BROMIDE ^*data from reagent suppliers

Safty Information:

• Pictogram(s): R22:Harmful if swallowed.; R36/37/38:Irritating to eyes, respiratory system and skin.
• Hazard Codes: R22:Harmful if swallowed.; R36/37/38:Irritating to eyes, respiratory system and skin.
• Statements: 22-36/37/38
• Safety Statements: 26-36/37/39

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: CC1=CC=C(C=C1)C[P+](C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4.[Br-]
• Uses: (4-Methylbenzyl)triphenylphosphonium Bromide is a Wittig reagent.

Technology Process of (4-Methylbenzyl)triphenylphosphonium bromide

There total 7 articles about (4-Methylbenzyl)triphenylphosphonium 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: 98.0%

4-Methylbenzyl bromide (104-81-4) + triphenylphosphine (603-35-0) → 4-methylbenzyltriphenylphosphonium bromide (2378-86-1)

Guidance literature:

In diethyl ether; Ambient temperature;

DOI:10.1021/jm990246i

Reference yield: 66.0%

4-Methylbenzyl chloride (104-82-5) + triphenylphosphine (603-35-0) → 4-methylbenzyltriphenylphosphonium bromide (2378-86-1)

Guidance literature:

In toluene; for 18h; Heating;

DOI:10.1021/ja00282a023

Reference yield:

4-Methylbenzyl alcohol (589-18-4) → 4-methylbenzyltriphenylphosphonium bromide (2378-86-1)

Guidance literature:

Multi-step reaction with 2 steps

1: PBr₃ / diethyl ether / -40 °C

2: benzene / 20 °C

With phosphorus tribromide; In diethyl ether; benzene;

DOI:10.1021/jm0310737

upstream raw materials:

4-Methylbenzyl bromide

triphenylphosphine

4-Methylbenzyl chloride

4-Methylbenzyl alcohol

Downstream raw materials:

(E,E)-1-(4-methylphenyl)-4-phenylbuta-1,3-diene

4'-methyl-2-vinylstilbene

cis-3-(4-Methoxyphenyl)-2-(4-methylphenyl)-2,3-dihydrophenanthro<9,10-b>furan

8-hydroxy-4-methyl-7-(phenylamino)-2H-1-benzopyran-2-one

Refernces

• 1、 Frydrych, Ivo,Urban, Milan,?arek, Jan,Benická, Sandra,D?ubák, Petr,Gurská, Soňa,Hajdúch, Marián,Kotulová, Jana,Li?ková, Barbora,Olejníková, Denisa,Pokorny, Jan. "Substituted dienes prepared from betulinic acid – Synthesis, cytotoxicity, mechanism of action, and pharmacological parameters". . . Retrieved 2021/07/28.
• 2、 Liu, Hao,Chen, Li,Zhou, Fei,Zhang, Yun-Xiao,Xu, Ji,Xu, Meng,Bai, Su-Ping. "Anti-oligomerization sheet molecules: Design, synthesis and evaluation of inhibitory activities against α-synuclein aggregation". supporting information. p. 3089 - 3096. Retrieved 2019/06/14.