Tetraoctylphosphonium bromide

Base Information

• Chemical Name: Tetraoctylphosphonium bromide
• CAS No.: 23906-97-0
• Molecular Formula: C32H68BrP
• Molecular Weight: 563.77
• Hs Code.: 2931 39 90
• European Community (EC) Number: 245-935-7
• DSSTox Substance ID: DTXSID5047900
• ChEMBL ID: CHEMBL3182779
• Mol file: 23906-97-0.mol

Synonyms:Tetraoctylphosphonium bromide;23906-97-0;Tetra-n-octylphosphonium Bromide;tetraoctylphosphanium;bromide;DTXSID5047900;EINECS 245-935-7;MFCD00210101;tetraoctylphosphanium bromide;tetraoctylphosphanium,bromide;Tetraoctylphosphoniumbromide;C32H68P.Br;SCHEMBL125260;C32-H68-P.Br;CHEMBL3182779;DTXCID8027876;QVBRLOSUBRKEJW-UHFFFAOYSA-M;Tetraoctylphosphonium bromide, min.;Tox21_200576;AKOS015833043;NCGC00258130-01;AS-59832;CAS-23906-97-0;CS-0323916;T1650;D92498;J-015269;Tetraoctylphosphonium bromide (45-55 wt% in toluene)

Chemical Property of Tetraoctylphosphonium bromide

Chemical Property:

• Appearance/Colour: White to Off-White
• Melting Point: 38-43 °C(lit.)
• Flash Point: >230 °F
• PSA: 13.59000
• LogP: 9.45000
• Storage Temp.: Store below +30°C.
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 28
• Exact Mass: 562.42420
• Heavy Atom Count: 34
• Complexity: 281

Purity/Quality:

98%, ^*data from raw suppliers

Tetra-n-octylphosphonium Bromide ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: CCCCCCCC[P+](CCCCCCCC)(CCCCCCCC)CCCCCCCC.[Br-]
• Uses: Tetra-N-octylphosphonium bromide (CAS# 23906-97-0) is an organic salt used as a catalyst in the synthesis of α-alkylidene cyclic carbonates from CO2 and propargylic alcohols, and in the conversion of lactide to acrylic acid.

Technology Process of Tetraoctylphosphonium bromide

There total 4 articles about Tetraoctylphosphonium 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:

1-bromo-octane (111-83-1) + TOP (4731-53-7) → tetra-n-octylphosphonium bromide (23906-97-0)

Guidance literature:

at 108 ℃;

Reference yield:

1-bromo-octane (111-83-1) → tetra-n-octylphosphonium bromide (23906-97-0)

Guidance literature:

Multistep reaction; (i) /BRN= 1733136/, phosphorus, I₂, (ii) Na, (iii) /BRN= 1733136/;

Reference yield:

C42H42N28O14*C32H68P(1+)*Br(1-) → tetra-n-octylphosphonium bromide (23906-97-0) + cucurbituril (259886-50-5)

Guidance literature:

In methanol; water; Equilibrium constant;

DOI:10.1007/s10847-020-01006-w

upstream raw materials:

1-bromo-octane

TOP

Downstream raw materials:

2-Fluoro-3,5-dichloropyridine

5-chloro-2,3-difluoropyridine

tetra-n-octylphosphonium formate

tetraoctylphosphonium (+)-(R)-2-(4-chloro-2-methylphenoxy)-propionate

Refernces

• 1、 Hagiwara, Seiya,Hanaya, Tadashi,Matsumoto, Yuki,Sueishi, Yoshimi. "Comparative study of inclusion complexation of tetraalkylphosphonium and ammonium salts with cucurbit[7]uril". . . Retrieved 2020/07/13.
• 2、 -. "METHOD FOR PRODUCING IONIC LIQUID AND METHOD FOR PRODUCING INTERMEDIATE BODY FOR PRODUCTION OF IONIC LIQUID". Paragraph 0088. . Retrieved 2018/02/22.