3-Benzyloxyphenylacetonitrile

Base Information

• Chemical Name: 3-Benzyloxyphenylacetonitrile
• CAS No.: 20967-96-8
• Molecular Formula: C15H13 N O
• Molecular Weight: 223.274
• Hs Code.: 2926909090
• DSSTox Substance ID: DTXSID60334156
• Wikidata: Q82099855
• Mol file: 20967-96-8.mol

Synonyms:3-Benzyloxyphenylacetonitrile;20967-96-8;2-(3-(benzyloxy)phenyl)acetonitrile;2-(3-phenylmethoxyphenyl)acetonitrile;3-Benzyloxybenzyl cyanide;2-[3-(benzyloxy)phenyl]acetonitrile;Benzeneacetonitrile, 3-(phenylmethoxy)-;3'-Benzyloxyphenylacetonitrile;MFCD00016396;Maybridge3_000453;Oprea1_182015;(3-benzyloxyphenyl)acetonitrile;SCHEMBL1636426;(3-benzyloxyphenyl)-acetonitrile;DTXSID60334156;(3-benzyloxy-phenyl)-acetonitrile;[3-(benzyloxy)phenyl]acetonitrile;HMS1432E13;2-(3-phenylmethoxyphenyl)ethanenitrile;AKOS015839474;AC-9169;Benzeneacetonitrile,3-(phenylmethoxy)-;IDI1_011840;AC-13737;AS-36366;BP-11262;B4229;CS-0139104;FT-0615107;EN300-190124;A815053

Chemical Property of 3-Benzyloxyphenylacetonitrile

Chemical Property:

• Melting Point: 48-49°C
• Boiling Point: 188-190°C 3mm
• Flash Point: 162.9°C
• PSA: 33.02000
• Density: 1.114g/cm³
• LogP: 3.33168
• Solubility.: Chloroform, Dichloromethane, Ethyl Acetate, Methanol
• XLogP3: 3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 4
• Exact Mass: 223.099714038
• Heavy Atom Count: 17
• Complexity: 261

Purity/Quality:

99% ^*data from raw suppliers

3''-Benzyloxyphenylacetonitrile ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xi
• Statements: 22-36/37/38
• Safety Statements: 36/37-36-26

MSDS Files:

Useful:

• Canonical SMILES: C1=CC=C(C=C1)COC2=CC=CC(=C2)CC#N

Technology Process of 3-Benzyloxyphenylacetonitrile

There total 14 articles about 3-Benzyloxyphenylacetonitrile 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%

1-benzyloxy-3-chloromethylbenzene (24033-03-2) + sodium cyanide (143-33-9,25596-52-5) → 2-(3-benzyloxyphenyl)acetonitrile (20967-96-8)

Guidance literature:

In N,N-dimethyl-formamide; at 100 ℃; for 2h;

DOI:10.1016/j.bmc.2005.10.051

Reference yield: 86.8%

3-Hydroxyphenylacetonitrile (25263-44-9) + benzyl bromide (100-39-0) → 2-(3-benzyloxyphenyl)acetonitrile (20967-96-8)

Guidance literature:

With potassium carbonate; In water; N,N-dimethyl-formamide;

Reference yield: 85.0%

sodium cyanide (773837-37-9) + (3-(benzyloxy)phenyl)methanol (1700-30-7) → 2-(3-benzyloxyphenyl)acetonitrile (20967-96-8)

Guidance literature:

(3-(benzyloxy)phenyl)methanol; With thionyl chloride; In 1,2-dichloro-ethane; at 0 - 20 ℃; for 3h;

sodium cyanide; In DMF (N,N-dimethyl-formamide); at 50 ℃;

upstream raw materials:

morpholine

1-(benzyloxy)-2-chlorobenzene

1-benzyloxy-3-chloromethylbenzene

sodium cyanide

Downstream raw materials:

2-<3-(benzyloxy)phenyl>-2-methylpropionitrile

<3-(benzyloxy)phenyl>ethanal

3-benzyloxyphenylacetic acid

Refernces

• 1、 -. "Novel azo dye compound". Page/Page column 12. . Retrieved 2008/06/13.
• 2、 Lisowski, Vincent,Enguehard, Cecile,Lancelot, Jean-Charles,Caignard, Daniel-Henri,Lambel, Stephanie,Leonce, Stephane,Pierre, Alain,Atassi, Ghanem,Renard, Pierre,Rault, Sylvain. "Design, synthesis and antiproliferative activity of tripentones: A new series of antitubulin agents". . p. 2205 - 2208. Retrieved 2007/10/03.