3-BIPHENYL ISOTHIOCYANATE

Base Information

• Chemical Name: 3-BIPHENYL ISOTHIOCYANATE
• CAS No.: 1510-25-4
• Molecular Formula: C₁₃H₉NS
• Molecular Weight: 211.287
• Hs Code.: 2930909899
• Mol file: 1510-25-4.mol

Synonyms:3-isothiocyanato-1,1'-biphenyl

Chemical Property of 3-BIPHENYL ISOTHIOCYANATE

Chemical Property:

• Refractive Index: 1.5700 (estimate)
• Boiling Point: 150℃/1mm
• Density: 1.1424 (rough estimate)
• Storage Temp.: 2-8°C
• Water Solubility.: 6.339mg/L(25 oC)

Purity/Quality:

97% ^*data from raw suppliers

3-Biphenylisothiocyanate 98% ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xn,N
• Statements: 20/21/22-37/38-41-50/53
• Safety Statements: 26-36/37/39-60-61

MSDS Files:

Useful:

Technology Process of 3-BIPHENYL ISOTHIOCYANATE

There total 4 articles about 3-BIPHENYL ISOTHIOCYANATE 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: 96.0%

3-biphenyl amine (2243-47-2) + 1,1'-Thiocarbonyldiimidazole (6160-65-2) → 3-isothiocyanato-1,1'-biphenyl (1510-25-4)

Guidance literature:

With dmap; In dichloromethane; at 20 ℃; for 1h; Inert atmosphere;

DOI:10.1016/j.bmcl.2011.09.038

Reference yield:

m-Bromoaniline (591-19-5) → 3-isothiocyanato-1,1'-biphenyl (1510-25-4)

Guidance literature:

Multi-step reaction with 2 steps

1: tetrakis(triphenylphosphine) palladium⁽⁰⁾; sodium carbonate / methanol / 24 h / 70 °C / Inert atmosphere

2: dmap / dichloromethane / 1 h / 20 °C / Inert atmosphere

With dmap; tetrakis(triphenylphosphine) palladium⁽⁰⁾; sodium carbonate; In methanol; dichloromethane; 1: Suzuki coupling;

DOI:10.1016/j.bmcl.2011.09.038

Reference yield:

phenylboronic acid (98-80-6) → 3-isothiocyanato-1,1'-biphenyl (1510-25-4)

Guidance literature:

Multi-step reaction with 2 steps

1: tetrakis(triphenylphosphine) palladium⁽⁰⁾; sodium carbonate / methanol / 24 h / 70 °C / Inert atmosphere

2: dmap / dichloromethane / 1 h / 20 °C / Inert atmosphere

With dmap; tetrakis(triphenylphosphine) palladium⁽⁰⁾; sodium carbonate; In methanol; dichloromethane; 1: Suzuki coupling;

DOI:10.1016/j.bmcl.2011.09.038

upstream raw materials:

3-biphenyl amine

1,1'-Thiocarbonyldiimidazole

m-Bromoaniline

phenylboronic acid

Downstream raw materials:

C₁₉H₂₃N₃

1-([1,1'-biphenyl]-3-yl)-3-cyclohexylthiourea

O-cyclohexyl [1,1'-biphenyl]-3-ylcarbamothioate