(3,3-Diisopropoxypropyl)triphenylphosphonium bromide

Base Information

• Chemical Name: (3,3-Diisopropoxypropyl)triphenylphosphonium bromide
• CAS No.: 72931-54-5
• Molecular Formula: C27H34 O2 P . Br
• Molecular Weight: 501.444
• Hs Code.: 2931599090
• European Community (EC) Number: 812-807-2
• DSSTox Substance ID: DTXSID90369294
• Mol file: 72931-54-5.mol

Synonyms:72931-54-5;(3,3-Diisopropoxypropyl)triphenylphosphonium bromide;3,3-Diisopropoxypropyl(triphenyl)phosphonium bromide;3,3-di(propan-2-yloxy)propyl-triphenylphosphanium;bromide;SCHEMBL8014676;DTXSID90369294;[3,3-Bis(1-methylethoxy)propyl]triphenylphosphonium bromide;MFCD00216916;AKOS017345128;FT-0641434;(3,3-Diisopropoxypropyl)triphenylphosphoniumbromide;A837673;3,3-di(propan-2-yloxy)propyl-triphenyl-phosphanium bromide;3,3-di(propan-2-yloxy)propyl-triphenylphosphonium bromide;{3,3-Bis[(propan-2-yl)oxy]propyl}(triphenyl)phosphanium bromide

Chemical Property of (3,3-Diisopropoxypropyl)triphenylphosphonium bromide

Chemical Property:

• PSA: 32.05000
• LogP: 2.55070
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 10
• Exact Mass: 500.14798
• Heavy Atom Count: 31
• Complexity: 404

Purity/Quality:

98%min ^*data from raw suppliers

(3,3-DIISOPROPOXYPROPYL)TRIPHENYLPHOSPHONIUM BROMIDE 95.00% ^*data from reagent suppliers

Safty Information:

• Safety Statements: 24/25

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of (3,3-Diisopropoxypropyl)triphenylphosphonium bromide

There total 5 articles about (3,3-Diisopropoxypropyl)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: 53.0%

Triisopropoxymethan (4447-60-3) + triphenylphosphine (603-35-0) → (3,3-diisopropoxy-propyl)-triphenyl-phosphonium bromide (72931-54-5)

Guidance literature:

triphenylphosphine; acrolein; With hydrogen bromide;

Triisopropoxymethan;

Reference yield:

triphenylphosphine (603-35-0) → (3,3-diisopropoxy-propyl)-triphenyl-phosphonium bromide (72931-54-5)

Guidance literature:

Multi-step reaction with 2 steps

1: aq. HBr

With hydrogen bromide;

DOI:10.1021/ja026880u

Reference yield:

triphenylphosphine (603-35-0) → (3,3-diisopropoxy-propyl)-triphenyl-phosphonium bromide (72931-54-5)

Guidance literature:

Multi-step reaction with 2 steps

1: 47percent HBr / CH₂Cl₂; propan-2-ol / Ambient temperature

2: 0.5 h / 0 °C

With hydrogen bromide; In dichloromethane; isopropyl alcohol;

DOI:10.1055/s-1988-27589

upstream raw materials:

3-bromopropanal dimethyl acetal

triphenylphosphine

isopropyl alcohol

Triisopropoxymethan

Downstream raw materials:

6-(2',6',6'-Trimethylcyclohexenyl)-4-methyl-3,5-hexadienal diisopropyl acetal

(3Z)-9-Benzyloxy-1,1-diisopropoxynon-3-ene

(3Z,6Z)-12-Benzyloxy-1,1-diisopropoxydodeca-3,6-diene

(3Z)-8-Benzyloxy-1,1-diisopropoxynon-3-ene

Refernces

• 1、 Peng, Sheng,Okeley, Nicole M.,Tsai, Ah-Lim,Wu, Gang,Kulmacz, Richard J.,Van der Donk, Wilfred A.. "Synthesis of isotopically labeled arachidonic acids to probe the reaction mechanism of prostaglandin H synthase". . p. 10785 - 10796. Retrieved 2007/10/03.