2-Propynenitrile, 3-(4-methoxyphenyl)-

Base Information

• Chemical Name: 2-Propynenitrile, 3-(4-methoxyphenyl)-
• CAS No.: 14677-99-7
• Molecular Formula: C10H7NO
• Molecular Weight: 157.172
• DSSTox Substance ID: DTXSID80450761
• Nikkaji Number: J2.442.486C
• Wikidata: Q82270577
• Mol file: 14677-99-7.mol

Synonyms:3-(4-methoxyphenyl)-2-propynenitrile;14677-99-7;2-Propynenitrile, 3-(4-methoxyphenyl)-;SCHEMBL6633988;DTXSID80450761;3-(4-methoxyphenyl)propynenitrile;AKOS023428326;3-(4-methoxyphenyl)-prop-2-ynenitrile

Chemical Property of 2-Propynenitrile, 3-(4-methoxyphenyl)-

Chemical Property:

• XLogP3: 2.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 157.052763847
• Heavy Atom Count: 12
• Complexity: 241

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 2-Propynenitrile, 3-(4-methoxyphenyl)-

There total 24 articles about 2-Propynenitrile, 3-(4-methoxyphenyl)- 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: 98.0%

sodium cyanide (773837-37-9) + 4-methoxyphenylacetylen (768-60-5) → 3-(p-methoxyphenyl)-2-propynenitrile (14677-99-7)

Guidance literature:

With 1H-imidazole; copper(II) perchlorate hexahydrate; N-ethyl-N,N-diisopropylamine; In tetrahydrofuran; at 40 ℃; for 18h; Sealed tube;

DOI:10.1021/acs.joc.8b00424

Reference yield: 95.0%

4-(4-methoxyphenyl)prop-2-yn-1-ol (37614-59-8) → 3-(p-methoxyphenyl)-2-propynenitrile (14677-99-7)

Guidance literature:

With manganese(IV) oxide; ammonia; magnesium sulfate; In tetrahydrofuran; isopropyl alcohol; at 20 ℃; for 3h;

Reference yield: 87.0%

C10H8INO (1198105-20-2) → 3-(p-methoxyphenyl)-2-propynenitrile (14677-99-7)

Guidance literature:

With lithium hexamethyldisilazane; In tetrahydrofuran; at -50 ℃; for 1h;

DOI:10.1002/adsc.200900067

upstream raw materials:

4-methoxyphenylacetylen

cyanogen chloride

<(4-Methoxy-benzoyl)-cyan-methylen>-triphenylphosphoran

copper(I) cyanide

Downstream raw materials:

3-amino-5-(4-methoxyphenyl)isoxazole

1-<2-cyano-1-(4-methoxyphenyl)-ethenyl>-2(1H)-pyridinone

1-<2-cyano-1-(4-methoxyphenyl)-ethenyl>-6-methyl4-phenyl-2(1H)-pyridinone

1-<2-cyano-1-(4-methoxyphenyl)-ethenyl>4-phenyl-2(1H)-pyridinone