4,4'-Propane-2,2-diyldibenzonitrile

Base Information

• Chemical Name: 4,4'-Propane-2,2-diyldibenzonitrile
• CAS No.: 1675-70-3
• Molecular Formula: C17H14 N2
• Molecular Weight: 246.312
• NSC Number: 33453
• DSSTox Substance ID: DTXSID80283793
• Nikkaji Number: J792.270A
• Wikidata: Q82018493
• Mol file: 1675-70-3.mol

Synonyms:1675-70-3;4,4'-propane-2,2-diyldibenzonitrile;NSC33453;bis(4 cyanophenyl)propane;SCHEMBL2998724;2,2-bis(4-cyanophenyl)propane;DTXSID80283793;NSC 33453;NSC-33453

Chemical Property of 4,4'-Propane-2,2-diyldibenzonitrile

Chemical Property:

• Boiling Point: 414.8°Cat760mmHg
• Flash Point: 194.7°C
• Density: 1.12g/cm³
• XLogP3: 3.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 246.115698455
• Heavy Atom Count: 19
• Complexity: 352

Purity/Quality:

98%min ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 4,4'-Propane-2,2-diyldibenzonitrile

There total 4 articles about 4,4'-Propane-2,2-diyldibenzonitrile 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: 71.0%

copper(I) cyanide (544-92-3) + 1,1'-propane-2,2-diylbis(4-bromobenzene) (28139-76-6) → 2,2-bis(4-cyanophenyl)propane (1675-70-3)

Guidance literature:

In N,N-dimethyl-formamide; for 5h; Heating;

DOI:10.1021/ja960546e

Reference yield:

2,2-diphenylpropane (778-22-3) → 2,2-bis(4-cyanophenyl)propane (1675-70-3)

Guidance literature:

Multi-step reaction with 2 steps

1: Br₂, Fe

2: 71 percent / dimethylformamide / 5 h / Heating

With bromine; iron; In N,N-dimethyl-formamide;

DOI:10.1021/ja960546e

Reference yield:

→ 2,2-bis(4-cyanophenyl)propane (1675-70-3)

Guidance literature:

upstream raw materials:

copper(I) cyanide

1,1'-propane-2,2-diylbis(4-bromobenzene)

2,2-diphenylpropane

Downstream raw materials:

4,4-(isopropylidene)-bis(benzoicacid)

(propane-2,2-diylbis(4,1-phenylene))dimethanol

4,4'-isopropylidene-di-benzoic acid dimethyl ester

Refernces