(2H3)Methyltriphenylphosphonium bromide

Base Information

• Chemical Name: (2H3)Methyltriphenylphosphonium bromide
• CAS No.: 1787-44-6
• Molecular Formula: C19H15 D3 P . Br
• Molecular Weight: 360.206
• European Community (EC) Number: 217-248-2
• DSSTox Substance ID: DTXSID70170527
• Mol file: 1787-44-6.mol

Synonyms:1787-44-6;Methyl-d3-triphenylphosphonium bromide;(2H3)Methyltriphenylphosphonium bromide;EINECS 217-248-2;triphenyl(trideuteriomethyl)phosphanium;bromide;Phosphonium, methyl-d3-triphenyl-, bromide (1:1);Methyl-triphenylphosphonium-d3 (bromide);EthylLinoleate;SCHEMBL1271861;HY-Y1033S;DTXSID70170527;CS-0226334;D99680;Phosphonium,methyl-d3-triphenyl-,bromide(8ci,9ci);J-011398

Chemical Property of (2H3)Methyltriphenylphosphonium bromide

Chemical Property:

• Melting Point: 233-235 °C(lit.)
• PSA: 13.59000
• LogP: 0.61430
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 3
• Exact Mass: 359.05178
• Heavy Atom Count: 21
• Complexity: 235

Purity/Quality:

99% ^*data from raw suppliers

Methyl-d3-triphenylphosphonium bromide 95 atom % D ^*data from reagent suppliers

Safty Information:

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

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: C[P+](C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3.[Br-]
• Isomeric SMILES: [2H]C([2H])([2H])[P+](C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3.[Br-]
• Uses: Methyl-d3-triphenylphosphonium Bromide (CAS# 1787-44-6) is a useful isotopically labeled research compound.

Technology Process of (2H3)Methyltriphenylphosphonium bromide

There total 4 articles about (2H3)Methyltriphenylphosphonium 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: 86.0%

Methyltriphenylphosphonium bromide (1779-49-3) → (methyl-d3)-triphenylphosphonium bromide (1787-44-6)

Guidance literature:

With water-d2; sodium hydroxide; at 20 ℃; for 24h; Inert atmosphere;

DOI:10.1002/anie.201706798

Reference yield: 65.0%

water-d2 (7789-20-0) + Methyltriphenylphosphonium bromide (1779-49-3) → (methyl-d3)-triphenylphosphonium bromide (1787-44-6)

Guidance literature:

With sodium hydroxide; at 20 ℃; Inert atmosphere; Schlenk technique;

DOI:10.1002/anie.201307245

Reference yield:

Trideutero-methylbromid (1111-88-2) + triphenylphosphine (603-35-0) → (methyl-d3)-triphenylphosphonium bromide (1787-44-6)

Guidance literature:

In benzene; for 18h;

DOI:10.1021/jm00127a040

upstream raw materials:

Trideutero-methylbromid

triphenylphosphine

Methyltriphenylphosphonium bromide

water-d2

Downstream raw materials:

C₁₁H₁₂⁽²⁾H₂O

1,1-dimethylethyl [(1S)-1-(phenylmethyl)-2-propen-1-yl]-d2-carbamate

C₁₂H₁₈⁽²⁾H₂O₂

(Z)-5-phenylpent-(2d1)-2-en-1-yl pivalate

Refernces

• 1、 Huang, Xueliang,Yu, Yinghua,Zhang, Heng. "Facile access to 2,2-diaryl 2: H -chromenes through a palladium-catalyzed cascade reaction of ortho -vinyl bromobenzenes with N -tosylhydrazones". supporting information. p. 5115 - 5119. Retrieved 2020/07/23.
• 2、 Li, Ruirui,Ju, Cheng-Wei,Zhao, Dongbing. "Rhodium(iii) vs. cobalt(iii): a mechanistically distinct three-component C-H bond addition cascade using a Cp*RhIII catalyst". supporting information. p. 695 - 698. Retrieved 2019/01/29.