Benzeneacetonitrile-cyano-14C, 3-methoxy-4-(phenylmethoxy)-

Base Information

• Chemical Name: Benzeneacetonitrile-cyano-14C, 3-methoxy-4-(phenylmethoxy)-
• CAS No.: 60136-26-7
• Molecular Formula: C₁₆H₁₅NO₂
• Molecular Weight: 255.29
• DSSTox Substance ID: DTXSID201187463
• Mol file: 60136-26-7.mol

Synonyms:DTXSID201187463;Benzeneacetonitrile-cyano-14C, 3-methoxy-4-(phenylmethoxy)-;60136-26-7

Chemical Property of Benzeneacetonitrile-cyano-14C, 3-methoxy-4-(phenylmethoxy)-

Chemical Property:

• XLogP3: 2.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 5
• Exact Mass: 255.11352071
• Heavy Atom Count: 19
• Complexity: 303

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: COC1=C(C=CC(=C1)CC#N)OCC2=CC=CC=C2
• Isomeric SMILES: COC1=C(C=CC(=C1)C[14C]#N)OCC2=CC=CC=C2

Technology Process of Benzeneacetonitrile-cyano-14C, 3-methoxy-4-(phenylmethoxy)-

There total 2 articles about Benzeneacetonitrile-cyano-14C, 3-methoxy-4-(phenylmethoxy)- 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:

1-(benzyloxy)-4-(bromomethyl)-2-methoxybenzene (72724-00-6) + sodium 14C-cyanide (3396-82-5) → 4-Benzyloxy-3-methoxyphenyl<1-14C>acetonitril (60136-26-7)

Guidance literature:

In N,N-dimethyl-formamide;

DOI:10.1016/S0031-9422(00)80749-9

Reference yield:

→ 4-Benzyloxy-3-methoxyphenyl<1-14C>acetonitril (60136-26-7)

Guidance literature:

entspr. Benzylchlorid, Na-¹⁴CN in DMSO, S.2428;

DOI:10.1039/jr9650002423

Reference yield:

4-Benzyloxy-3-methoxyphenyl<1-14C>acetonitril (60136-26-7) → 4-Benzyloxy-3-methoxyphen<1-14C>ethylamin

Guidance literature:

With lithium aluminium tetrahydride; In diethyl ether;

DOI:10.1016/S0031-9422(00)80749-9

upstream raw materials:

1-(benzyloxy)-4-(bromomethyl)-2-methoxybenzene

sodium 14C-cyanide