Diphenylacetylene-D 10

Base Information

• Chemical Name: Diphenylacetylene-D 10
• CAS No.: 19339-46-9
• Molecular Formula: C14D10
• Molecular Weight: 188.154
• DSSTox Substance ID: DTXSID70584206
• Nikkaji Number: J2.355.818A
• Wikidata: Q82475839
• Mol file: 19339-46-9.mol

Synonyms:19339-46-9;DIPHENYLACETYLENE-D 10;1,2-Diphenylethyne-d10;1,2,3,4,5-pentadeuterio-6-[2-(2,3,4,5,6-pentadeuteriophenyl)ethynyl]benzene;DTXSID70584206;HY-W016597S;AKOS015915808;CS-0568205;D98587;1,1'-(Ethyne-1,2-diyl)di(~2~H_5_)benzene;Diphenylacetylene-d10, 98 atom % D, 99% (CP)

Chemical Property of Diphenylacetylene-D 10

Chemical Property:

• Melting Point: 58-60 °C(lit.)
• Boiling Point: 170 °C19 mm Hg(lit.)
• PSA: 0.00000
• Density: 1.045 g/mL at 25 °C(lit.)
• LogP: 3.08640
• XLogP3: 4.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 2
• Exact Mass: 188.141017778
• Heavy Atom Count: 14
• Complexity: 193

Purity/Quality:

99% by CP; 98% atom D ^*data from raw suppliers

Tolan-d10 ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C=C1)C#CC2=CC=CC=C2
• Isomeric SMILES: [2H]C1=C(C(=C(C(=C1[2H])[2H])C#CC2=C(C(=C(C(=C2[2H])[2H])[2H])[2H])[2H])[2H])[2H]
• Uses: Tolan-d10 (CAS# 19339-46-9) is a useful isotopically labeled research compound.

Technology Process of Diphenylacetylene-D 10

There total 2 articles about Diphenylacetylene-D 10 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: 55.0%

bromobenzene-d5 (4165-57-5) + trimethylsilylacetylene (1066-54-2) → di(d5-phenyl)acetylene (19339-46-9)

Guidance literature:

With bis-triphenylphosphine-palladium(II) chloride; copper(l) iodide; 1,8-diazabicyclo[5.4.0]undec-7-ene; In water; toluene; at 80 ℃; for 10h; Schlenk technique; Inert atmosphere;

DOI:10.1021/acs.orglett.0c01260

Reference yield:

→ di(d5-phenyl)acetylene (19339-46-9)

Guidance literature:

Di--cyclopropenon (2), Bestrahlen;

DOI:10.1021/jo00957a038

Reference yield: 86.0%

di(d5-phenyl)acetylene (19339-46-9) → C28H(2)H19 (1395342-92-3)

Guidance literature:

With Wilkinson's catalyst; silver(II) fluoride; phenylmagnesium bromide; In tetrahydrofuran; at 110 ℃; for 12h; Inert atmosphere;

DOI:10.1080/00397911.2011.580444

upstream raw materials:

bromobenzene-d5

trimethylsilylacetylene

Downstream raw materials:

trans-<2,2',3,3',4,4',5,5',6,6'-D₁₀>Stilben

1,2-Di(phenyl-d5)ethane

Pd(bcope)(d10-CHPhCH₂Ph)(H)

Pd(P(C₂H₅)3)2(H)(HC₆⁽²⁾H₅C₂H₂C₆⁽²⁾H₅)

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