(3-Aminophenoxy)acetonitrile

Base Information

• Chemical Name: (3-Aminophenoxy)acetonitrile
• CAS No.: 219312-01-3
• Molecular Formula: C8H8 N2 O
• Molecular Weight: 148.164
• Hs Code.: 2926909090
• European Community (EC) Number: 887-852-4
• DSSTox Substance ID: DTXSID60596292
• Wikidata: Q82491514
• Mol file: 219312-01-3.mol

Synonyms:(3-aminophenoxy)acetonitrile;2-(3-aminophenoxy)acetonitrile;219312-01-3;(3-amino-phenoxy)-acetonitrile;ACETONITRILE,(3-AMINOPHENOXY)-;(3-Aminophenoxy)-acetonitrile;F2158-1547;SCHEMBL3054840;DTXSID60596292;BIHMHFUQWCIATN-UHFFFAOYSA-N;AKOS000157017;Acetonitrile, (3-aminophenoxy)- (9CI);DA-28498;EN300-39906;G34037;Z285182504

Chemical Property of (3-Aminophenoxy)acetonitrile

Chemical Property:

• PSA: 59.04000
• LogP: 1.75238
• XLogP3: 0.7
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 148.063662883
• Heavy Atom Count: 11
• Complexity: 161

Purity/Quality:

99% ^*data from raw suppliers

(3-Amino-phenoxy)-acetonitrile ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=CC(=C1)OCC#N)N

Technology Process of (3-Aminophenoxy)acetonitrile

There total 4 articles about (3-Aminophenoxy)acetonitrile 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:

meta-nitrophenol (554-84-7) + cyanomethyl bromide (590-17-0) → 2-(3-aminophenoxy)acetonitrile (219312-01-3)

Guidance literature:

With potassium carbonate; In acetonitrile; at 20 ℃; for 16h;

Reference yield:

toluene-4-sulfonic acid cyanomethyl ester (14562-04-0) + m-Hydroxyaniline (591-27-5) → 2-(3-aminophenoxy)acetonitrile (219312-01-3)

Guidance literature:

With potassium tert-butylate; In tetrahydrofuran; N,N-dimethyl-formamide;

Reference yield:

m-Hydroxyaniline (591-27-5) → 2-(3-aminophenoxy)acetonitrile (219312-01-3)

Guidance literature:

In N,N-dimethyl-formamide; mineral oil; cyanomethyl bromide;

upstream raw materials:

chloroacetonitrile

m-Hydroxyaniline

toluene-4-sulfonic acid cyanomethyl ester

meta-nitrophenol

Downstream raw materials:

N-[6-chloro-3-(4,5-dihydro-1H-imidazol-2-ylmethoxy)-2-methylphenyl]methanesulfonamide hydrochloride

C₁₆H₁₂N₄O₂