2-(5-Formyl-2-furyl)benzonitrile

Base Information

• Chemical Name: 2-(5-Formyl-2-furyl)benzonitrile
• CAS No.: 299442-23-2
• Molecular Formula: C12H7NO2
• Molecular Weight: 197.193
• Hs Code.: 2932190090
• DSSTox Substance ID: DTXSID10391138
• Mol file: 299442-23-2.mol

Synonyms:2-(5-formyl-2-furyl)benzonitrile;2-(5-formylfuran-2-yl)benzonitrile;299442-23-2;2-(5-Formyl-furan-2-yl)-benzonitrile;DTXSID10391138;MFCD02630467;STK296791;AKOS000108233;FS-5078;SB61107;NCGC00329985-01;BB 0246359;CS-0313600;F77566;AB01323666-02;EN300-2859840;2-(5-formyl-furan-2-yl)-benzonitrile, AldrichCPR;Z336080228

Chemical Property of 2-(5-Formyl-2-furyl)benzonitrile

Chemical Property:

• Vapor Pressure: 4.03E-07mmHg at 25°C
• Boiling Point: 415.7°C at 760 mmHg
• Flash Point: 205.2°C
• PSA: 54.00000
• Density: 1.26g/cm³
• LogP: 2.63078
• XLogP3: 2.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 197.047678466
• Heavy Atom Count: 15
• Complexity: 281

Purity/Quality:

95% ^*data from raw suppliers

2-(5-Formyl-2-furyl)benzonitrile ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C(=C1)C#N)C2=CC=C(O2)C=O

Technology Process of 2-(5-Formyl-2-furyl)benzonitrile

There total 10 articles about 2-(5-Formyl-2-furyl)benzonitrile 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: 17.0%

Dichloromethyl methyl ether (4885-02-3) + 2-(furan-2-yl)benzonitrile (155395-45-2) → o-(5-formyl-2-furyl)benzonitrile (299442-23-2)

Guidance literature:

With tin(IV) chloride; In dichloromethane; at -15 ℃; for 1h;

DOI:10.1080/00304948.2018.1405334

Reference yield:

5-formylfurane-2-boronic acid (27329-70-0) → o-(5-formyl-2-furyl)benzonitrile (299442-23-2)

Guidance literature:

With bis-triphenylphosphine-palladium(II) chloride; potassium acetate; In 1,4-dioxane; water; at 90 ℃; for 12h; Inert atmosphere;

DOI:10.1016/j.bioorg.2021.105159

Reference yield:

5-formylfurane-2-boronic acid (27329-70-0) + o-cyanobromobenzene (2042-37-7) → o-(5-formyl-2-furyl)benzonitrile (299442-23-2)

Guidance literature:

With tetrakis(triphenylphosphine) palladium⁽⁰⁾; potassium carbonate; In ethanol; toluene; at 100 ℃; for 4h; Inert atmosphere;

DOI:10.1039/c2ob26081f

upstream raw materials:

5-formylfurane-2-boronic acid

o-cyanobromobenzene

furfural

2-Chlorobenzonitrile

Refernces

• 1、 Lovri?, Marija,Tibi, Mohamed Majed,Filipan, Mirela,Cepanec, Ivica,Litvi?, Mladen. "Simple and Efficient Large-scale Metal-free Synthesis of o-(5-Formyl-2-thienyl)benzonitrile and o-(5-Formyl-2-furyl)benzonitrile". . p. 81 - 90. Retrieved 2018/02/15.
• 2、 Kong, Xiangqian,Qin, Jie,Li, Zeng,Vultur, Adina,Tong, Linjiang,Feng, Enguang,Rajan, Geena,Liu, Shien,Lu, Junyan,Liang, Zhongjie,Zheng, Mingyue,Zhu, Weiliang,Jiang, Hualiang,Herlyn, Meenhard,Liu, Hong,Marmorstein, Ronen,Luo, Cheng. "Development of a novel class of B-RafV600E-selective inhibitors through virtual screening and hierarchical hit optimization". experimental part. p. 7402 - 7417. Retrieved 2012/10/08.