4-(1-Propynyl) Biphenyl

Base Information

• Chemical Name: 4-(1-Propynyl) Biphenyl
• CAS No.: 61948-01-4
• Molecular Formula: C15H12
• Molecular Weight: 192.26
• ChEMBL ID: CHEMBL1743360
• DSSTox Substance ID: DTXSID30478278
• Nikkaji Number: J806.663I
• Pharos Ligand ID: 321B74D37F2B
• Wikidata: Q82311548
• Mol file: 61948-01-4.mol

Synonyms:CHEMBL1743360;4-(1-Propynyl) Biphenyl;1-phenyl-4-prop-1-ynylbenzene;4-propynylbiphenyl;4-Propynyl Biphenyl;61948-01-4;DTXSID30478278;BDBM50418082

Chemical Property of 4-(1-Propynyl) Biphenyl

Chemical Property:

• PSA: 0.00000
• LogP: 3.72500
• XLogP3: 5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 2
• Exact Mass: 192.093900383
• Heavy Atom Count: 15
• Complexity: 238

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC#CC1=CC=C(C=C1)C2=CC=CC=C2

Technology Process of 4-(1-Propynyl) Biphenyl

There total 1 articles about 4-(1-Propynyl) Biphenyl 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:

4-(prop-2-yn-1-yl)-1,1'-biphenyl (70090-71-0) → 4-(1-Propynyl)biphenyl (61948-01-4) + C30H24

Guidance literature:

With C₅₀H₆₀Mg₂N₄; In ⁽²⁾H₈-toluene; at 80 ℃; for 47h;

DOI:10.1002/chem.201500179

Reference yield: 97.0%

1-methyl-3-phenylindolin-2-one (3335-97-5) + 4-(1-Propynyl)biphenyl (61948-01-4) → (E)-3-(3-([1,1'-biphenyl]-4-yl)allyl)-1-methyl-3-phenylindolin-2-one

Guidance literature:

With tetrakis(triphenylphosphine) palladium⁽⁰⁾; benzoic acid; CyJohnPhos; In water; at 100 ℃; for 24h; regioselective reaction; Sealed tube; Inert atmosphere;

DOI:10.1039/c7gc00666g

Reference yield: 95.0%

4-(1-Propynyl)biphenyl (61948-01-4) + cyclopentanone (120-92-3) → 2-(1-([1,1'-biphenyl]-4-yl)allyl)cyclopentan-1-one

Guidance literature:

With morpholine; chloro(1,5-cyclooctadiene)rhodium(I) dimer; 2.6-dimethylphenol; DTBM-MeO-BIPHEP; phosphoric acid dibenzyl ester; In 1,2-dichloro-ethane; at 110 ℃; for 24h; Glovebox;

upstream raw materials:

4-(prop-2-yn-1-yl)-1,1'-biphenyl

Downstream raw materials:

[(1,1'-biphenyl-4-yl)ethynyl]ferrocene

C₂₃H₂₅NO₃

C₂₃H₂₅NO₃

C₁₈H₁₅NO

Refernces