Bis(4-chlorophenyl)carbodiimide

Base Information

• Chemical Name: Bis(4-chlorophenyl)carbodiimide
• CAS No.: 838-98-2
• Molecular Formula: C13H8Cl2N2
• Molecular Weight: 263.126
• DSSTox Substance ID: DTXSID101262836
• Nikkaji Number: J260.120F
• Mol file: 838-98-2.mol

Synonyms:Bis(4-chlorophenyl)carbodiimide;SCHEMBL507745;DTXSID101262836;N,N'-bis(4-chlorophenyl)carbodiimide;N,N'-Di-(4'-chlorphenyl)-carbodiimid;838-98-2;N,N'-Methanetetraylbis[4-chlorobenzenamine];(4-chlorophenyl)-[(4-chlorophenyl)imino-methylene]-amine

Chemical Property of Bis(4-chlorophenyl)carbodiimide

Chemical Property:

• XLogP3: 5.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 262.0064537
• Heavy Atom Count: 17
• Complexity: 252

Purity/Quality:

95% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=CC=C1N=C=NC2=CC=C(C=C2)Cl)Cl

Technology Process of Bis(4-chlorophenyl)carbodiimide

There total 14 articles about Bis(4-chlorophenyl)carbodiimide 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: 93.0%

carbon disulfide (75-15-0,12122-00-8) + N-p-chlorophenyltriphenylphosphinimine (31641-65-3) → bis-(4-chloro-phenyl)-carbodiimide (838-98-2)

Guidance literature:

In benzene; for 2h; Heating;

Reference yield: 88.0%

1,3-bis(4-chlorophenyl)thiourea (1220-00-4) → bis-(4-chloro-phenyl)-carbodiimide (838-98-2)

Guidance literature:

With triethylamine; 1-hydroxy-3H-benz[d][1,2]iodoxole-1,3-dione; In dichloromethane; at 0 ℃; for 0.166667h;

DOI:10.1055/s-0030-1259072

Reference yield: 34.0%

p-chlorphenylisocyanate (104-12-1) → bis-(4-chloro-phenyl)-carbodiimide (838-98-2)

Guidance literature:

C₅H₅Mn(CO)3; In xylene; Heating;

DOI:10.1016/j.tetlet.2007.06.115

upstream raw materials:

N,N-bis-(4-chloro-phenyl)-thiourea

p-chlorphenylisocyanate

carbon disulfide

N-p-chlorophenyltriphenylphosphinimine

Downstream raw materials:

N,N'-bis(4-chlorophenyl)urea

7-chloro-3-(4-chloro-phenyl)-2-(4-chloro-phenylimino)-2,3-dihydro-pyrano[3,4-e][1,3]oxazine-4,5-dione

2-[4-(4-Chloro-phenyl)-3-(4-chloro-phenylamino)-5-thioxo-4,5-dihydro-[1,2,4]triazol-1-yl]-N-phenyl-acetamide

C₂₃H₃₁Cl₂N₂O₃PSe

Refernces

• 1、 -. "CERAMIDE GALACTOSYLTRANSFERASE INHIBITORS FOR THE TREATMENT OF DISEASE". Paragraph 0001342; 0001344. . Retrieved 2018/01/17.
• 2、 Kuninobu, Yoichiro,Uesugi, Tadamasa,Kawata, Atsushi,Takai, Kazuhiko. "Manganese-catalyzed cleavage of a carbon-carbon single bond between carbonyl carbon and α-carbon atoms of ketones". supporting information; experimental part. p. 10406 - 10408. Retrieved 2011/12/04.