2-Iodo-3,4-dimethoxybenzeneacetonitrile

Base Information

Chemical Name:2-Iodo-3,4-dimethoxybenzeneacetonitrile
CAS No.:138490-99-0
Molecular Formula:C₁₀H₁₀INO₂
Molecular Weight:303.099
Hs Code.:
DSSTox Substance ID:DTXSID601279602

Synonyms:2-Iodo-3,4-dimethoxybenzeneacetonitrile;138490-99-0;DTXSID601279602

Suppliers and Price of 2-Iodo-3,4-dimethoxybenzeneacetonitrile

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Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

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Chemical Property of 2-Iodo-3,4-dimethoxybenzeneacetonitrile

Chemical Property:

XLogP3:2.2
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:3
Exact Mass:302.97563
Heavy Atom Count:14
Complexity:225

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:

Useful:

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

Technology Process of 2-Iodo-3,4-dimethoxybenzeneacetonitrile

There total 6 articles about 2-Iodo-3,4-dimethoxybenzeneacetonitrile 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: 99.6%

: 773837-37-9
sodium cyanide

: (2-iodo-3,4-dimethoxyphenyl)chloromethane

: 138490-99-0
(2-iodo-3,4-dimethoxyphenyl)acetonitrile

Guidance literature:: In dimethyl sulfoxide; for 2.5h;
DOI:10.1055/s-0034-1379481

Reference yield: 73.0%

: 143-33-9,25596-52-5
sodium cyanide

: 138491-35-7
1-(bromomethyl)-2-iodo-3,4-dimethoxybenzene

: 138490-99-0
(2-iodo-3,4-dimethoxyphenyl)acetonitrile

Guidance literature:: In N,N-dimethyl-formamide; for 0.5h; Ambient temperature;
DOI:10.1021/jm00081a007

Reference yield:

: 138490-95-6
2-iodo-3,4-dimethoxybenzaldehyde

: 138490-99-0
(2-iodo-3,4-dimethoxyphenyl)acetonitrile

Guidance literature:: Multi-step reaction with 3 steps

1: 83 percent / sodium borohydride / tetrahydrofuran / 3 h / 40 °C

2: 77 percent / phosphorus tribromide / CHCl₃ / 2 h / 0 °C

3: 73 percent / dimethylformamide / 0.5 h / Ambient temperature

With sodium tetrahydroborate; phosphorus tribromide; In tetrahydrofuran; chloroform; N,N-dimethyl-formamide;
DOI:10.1021/jm00081a007