2-[(3-Bromo-4-methoxyphenyl)methylidene]propanedinitrile

Base Information

• Chemical Name: 2-[(3-Bromo-4-methoxyphenyl)methylidene]propanedinitrile
• CAS No.: 313670-97-2
• Molecular Formula: C₁₁H₇BrN₂O
• Molecular Weight: 263.093
• DSSTox Substance ID: DTXSID10354268
• Nikkaji Number: J2.953.040H
• Mol file: 313670-97-2.mol

Synonyms:313670-97-2;2-[(3-bromo-4-methoxyphenyl)methylidene]propanedinitrile;2-(3-Bromo-4-methoxybenzylidene)malononitrile;((3-BROMO-4-METHOXYPHENYL)METHYLENE)METHANE-1,1-DICARBONITRILE;HMS1608A19;2-[(3-bromo-4-methoxyphenyl)methylene]malononitrile;DTXSID10354268;MCK102957;MFCD00245398;AKOS000369809;MS-7044;CS-0304974;Z44300213

Chemical Property of 2-[(3-Bromo-4-methoxyphenyl)methylidene]propanedinitrile

Chemical Property:

• Vapor Pressure: 1.26E-06mmHg at 25°C
• Melting Point: 156 °C(Solv: isopropanol (67-63-0))
• Boiling Point: 400.5°C at 760 mmHg
• Flash Point: 196°C
• Density: 1.514g/cm³
• XLogP3: 2.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 261.97418
• Heavy Atom Count: 15
• Complexity: 328

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1=C(C=C(C=C1)C=C(C#N)C#N)Br

Technology Process of 2-[(3-Bromo-4-methoxyphenyl)methylidene]propanedinitrile

There total 2 articles about 2-[(3-Bromo-4-methoxyphenyl)methylidene]propanedinitrile 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:

3-bromo-4-methoxybenzylaldehyde (34841-06-0) + malononitrile (109-77-3) → C11H7BrN2O (313670-97-2)

Guidance literature:

With triethylamine; In ethanol; at 20 ℃; for 0.5h;

DOI:10.1007/s11172-018-2073-z

Reference yield:

(3-bromo-4-methoxy-phenyl)-methanol (38493-59-3) + malononitrile (109-77-3) → C11H7BrN2O (313670-97-2)

Guidance literature:

With 2,4,6-tripropyl-1,3,5,2,4,6-trioxatriphosphinane-2,4,6-trioxide; In dimethyl sulfoxide; ethyl acetate; at 20 ℃; for 0.166667h;

DOI:10.1039/c5ra13085a

Reference yield:

C11H7BrN2O (313670-97-2) + 2-acetonyl-isoquinolinium; chloride → 3-acetyl-2-(3-bromo-4-methoxyphenyl)-2,3-dihydropyrrolo[2,1-a]isoquinoline-1,1(10bH)-dicarbonitrile

Guidance literature:

In ethanol; at 20 ℃; for 3.5h; stereoselective reaction;

DOI:10.1007/s11172-018-2073-z

upstream raw materials:

(3-bromo-4-methoxy-phenyl)-methanol

malononitrile

3-bromo-4-methoxybenzylaldehyde