2,3-Dihydro-4h-chromen-4-ylidenepropanedinitrile

Base Information

• Chemical Name: 2,3-Dihydro-4h-chromen-4-ylidenepropanedinitrile
• CAS No.: 30197-78-5
• Molecular Formula: C12H8 N2 O
• Molecular Weight: 196.208
• NSC Number: 108908
• DSSTox Substance ID: DTXSID40296349
• Nikkaji Number: J1.998.661F
• Wikidata: Q82036913
• Mol file: 30197-78-5.mol

Synonyms:30197-78-5;2,3-dihydro-4h-chromen-4-ylidenepropanedinitrile;NSC108908;DTXSID40296349;AKOS024378596;.DELTA.4,.alpha.-Chromanmalononitrile;NSC-108908

Chemical Property of 2,3-Dihydro-4h-chromen-4-ylidenepropanedinitrile

Chemical Property:

• Vapor Pressure: 1.08E-05mmHg at 25°C
• Boiling Point: 370.8°Cat760mmHg
• Flash Point: 157.1°C
• Density: 1.258g/cm³
• XLogP3: 1.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 196.063662883
• Heavy Atom Count: 15
• Complexity: 361

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1COC2=CC=CC=C2C1=C(C#N)C#N

Technology Process of 2,3-Dihydro-4h-chromen-4-ylidenepropanedinitrile

There total 2 articles about 2,3-Dihydro-4h-chromen-4-ylidenepropanedinitrile 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: 60.0%

2,3-dihydro-4H-1-benzopyran-4-one (491-37-2) + malononitrile (109-77-3) → chroman-4-ylidene-malononitrile (30197-78-5)

Guidance literature:

With ammonium acetate; acetic acid; In toluene; Heating;

DOI:10.1021/jo0478205

Reference yield:

→ chroman-4-ylidene-malononitrile (30197-78-5)

Guidance literature:

(yield)64.3 percent;

Reference yield: 95.0%

(E)-2-(3-phenylprop-2-enoyl)pyridine-1-oxide (942129-14-8) + chroman-4-ylidene-malononitrile (30197-78-5) → C26H19N3O3

Guidance literature:

(E)-2-(3-phenylprop-2-enoyl)pyridine-1-oxide; With 1-(3,5-bis(trifluoromethyl)phenyl)-3-((S)-quinolin-4-yl((1S,2S,4S,5R)-5-vinylquinu clidin-2-yl)methyl)thiourea; In toluene; at 20 ℃; for 0.166667h; Inert atmosphere;

chroman-4-ylidene-malononitrile; In toluene; at 0 ℃; for 32h; stereoselective reaction; Inert atmosphere;

DOI:10.1021/ol5025794

upstream raw materials:

2,3-dihydro-4H-1-benzopyran-4-one

malononitrile