4-Isothiocyanatobiphenyl

Base Information

• Chemical Name: 4-Isothiocyanatobiphenyl
• CAS No.: 1510-24-3
• Molecular Formula: C13H9 N S
• Molecular Weight: 211.287
• Hs Code.: 2930909090
• NSC Number: 72181
• DSSTox Substance ID: DTXSID70164688
• Nikkaji Number: J136.466I
• Mol file: 1510-24-3.mol

Synonyms:4-isothiocyanatobiphenyl;1510-24-3;1-isothiocyanato-4-phenylbenzene;1,1'-Biphenyl, 4-isothiocyanato-;4-ISOTHIOCYANATO-1,1'-BIPHENYL;4-Isothiocyanato-1,1/'-biphenyl;NSC 72181;AI3-16038;NSC72181;SCHEMBL3414004;DTXSID70164688;MFCD00159057;NSC-72181;AKOS004114630

Chemical Property of 4-Isothiocyanatobiphenyl

Chemical Property:

• Boiling Point: 357.6°Cat760mmHg
• Flash Point: 180°C
• PSA: 44.45000
• Density: 1.06g/cm³
• LogP: 4.08790
• XLogP3: 5.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 211.04557046
• Heavy Atom Count: 15
• Complexity: 231

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C=C1)C2=CC=C(C=C2)N=C=S

Technology Process of 4-Isothiocyanatobiphenyl

There total 15 articles about 4-Isothiocyanatobiphenyl 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: 97.0%

thiophosgene (463-71-8) + 4-phenylalanine (92-67-1) → 1-isothiocyanato-4-phenylbenzene (1510-24-3)

Guidance literature:

With triethylamine; In tetrahydrofuran; at 25 ℃; for 12h;

DOI:10.1016/0040-4020(94)00921-G

Reference yield: 93.0%

4-phenylalanine (92-67-1) + 1,1'-Thiocarbonyldiimidazole (6160-65-2) → 1-isothiocyanato-4-phenylbenzene (1510-24-3)

Guidance literature:

In dichloromethane; at 0 - 25 ℃; for 1h;

DOI:10.1016/j.bmc.2004.05.042

Reference yield: 93.0%

4-phenylalanine (92-67-1) + tetramethylammonium trifluoromethanethiolate → 1-isothiocyanato-4-phenylbenzene (1510-24-3)

Guidance literature:

With triethylamine; In dichloromethane; at 20 ℃; for 0.25h;

DOI:10.1021/acs.orglett.7b00689

upstream raw materials:

biphenyl-4-yl-thiourea

N,N'-bis-biphenyl-4-yl-thiourea

thiophosgene

4-phenylalanine

Downstream raw materials:

1-(biphenyl-4-yl)-3-propylthiourea

N,N'-bis-biphenyl-4-yl-thiourea

N-biphenyl-4-yl-N'-(4-chloro-phenyl)-thiourea

N-(4-ethoxy-phenyl)-N'-biphenyl-4-yl-thiourea