(O-Phenylenedioxy)diacetonitrile

Base Information

• Chemical Name: (O-Phenylenedioxy)diacetonitrile
• CAS No.: 27165-64-6
• Molecular Formula: C10H8N2O2
• Molecular Weight: 188.186
• DSSTox Substance ID: DTXSID30465042
• Nikkaji Number: J1.956.515G
• Wikidata: Q82290698
• Mol file: 27165-64-6.mol

Synonyms:(O-Phenylenedioxy)diacetonitrile;27165-64-6;2-[2-(cyanomethoxy)phenoxy]acetonitrile;1,2-Phenylenedioxydiacetonitrile;2,2'-(1,2-Phenylenebis(oxy))diacetonitrile;2,2'-[1,2-Phenylenebis(oxy)]diacetonitrile;SCHEMBL11869553;DTXSID30465042;RELKMBLYTGHWBH-UHFFFAOYSA-N;FT-0673751;2,2'-[benzene-1,2-diylbis(oxy)]diacetonitrile;Acetonitrile, 2,2'-[1,2-phenylenebis(oxy)]bis-

Chemical Property of (O-Phenylenedioxy)diacetonitrile

Chemical Property:

• PSA: 66.04000
• LogP: 1.49136
• Storage Temp.: -20°C Freezer
• Solubility.: Chloroform, Methanol (Slightly)
• XLogP3: 1.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 4
• Exact Mass: 188.058577502
• Heavy Atom Count: 14
• Complexity: 232

Purity/Quality:

99% ^*data from raw suppliers

(O-Phenylenedioxy)diacetonitrile ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C(=C1)OCC#N)OCC#N
• Uses: 1,2-Phenylenedioxydiacetonitrile is used in the preparation of β-adrenergic stimulants. Used in the preparation of β-adrenergic stimulants.

Technology Process of (O-Phenylenedioxy)diacetonitrile

There total 2 articles about (O-Phenylenedioxy)diacetonitrile 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:

benzene-1,2-diol (120-80-9,19481-10-8,37349-32-9) + chloroacetonitrile (107-14-2) → (2-cyanomethoxyphenoxy)acetonitrile (27165-64-6)

Guidance literature:

With potassium carbonate; potassium iodide; In acetone; Heating;

DOI:10.1002/hlca.19750580605

Reference yield:

→ (2-cyanomethoxyphenoxy)acetonitrile (27165-64-6)

Guidance literature:

Brenzkatechin u. Chloracetonitril in Acn. + K2CO3 + KI;

DOI:10.1039/j39700001296

Reference yield: 89.0%

(2-cyanomethoxyphenoxy)acetonitrile (27165-64-6) + thiosemicarbazide (79-19-6) → 5-({2-[(2-amino-1,3,4-thiadiazole-5-yl)methoxy]phenoxy}methyl)2-amino-1,3,4-thiadiazole (1005288-99-2)

Guidance literature:

In trifluoroacetic acid; at 60 - 70 ℃; for 4h;

DOI:10.1002/hc.20496

upstream raw materials:

benzene-1,2-diol

chloroacetonitrile

Downstream raw materials:

2-[2-(2-hydroxy-2-oxoethoxy)phenoxy]acetic acid

1-benzoyl-3-(4-cyano-2H-benzo[b][1,4]dioxepin-3-yl)urea

cis-1,2-Cyclohexandioxydiessigsaeure

cis-Cyclohexandioxydiacetylchlorid

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