Benzeneacetonitrile, 3-chloro-4,5-dimethoxy-

Base Information

Chemical Name:Benzeneacetonitrile, 3-chloro-4,5-dimethoxy-
CAS No.:104113-75-9
Molecular Formula:C₁₀H₁₀ClNO₂
Molecular Weight:211.648
Hs Code.:
DSSTox Substance ID:DTXSID101270043

Synonyms:Benzeneacetonitrile, 3-chloro-4,5-dimethoxy-;104113-75-9;DTXSID101270043;AKOS005362885;3-Chloro-4,5-dimethoxybenzeneacetonitrile;Z850046162

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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 Benzeneacetonitrile, 3-chloro-4,5-dimethoxy-

Chemical Property:

XLogP3:2.1
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:3
Exact Mass:211.0400063
Heavy Atom Count:14
Complexity:225

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:

Useful:

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

Technology Process of Benzeneacetonitrile, 3-chloro-4,5-dimethoxy-

There total 3 articles about Benzeneacetonitrile, 3-chloro-4,5-dimethoxy- 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: 84.0%

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

: 104113-74-8
1-Chloro-5-chloromethyl-2,3-dimethoxy-benzene

: 104113-75-9
(3-Chloro-4,5-dimethoxy-phenyl)-acetonitrile

Guidance literature:: With sieve; for 1h;
DOI:10.1021/jm00161a029

Reference yield:

: 18268-68-3
5-chloroveratraldehyde

: 104113-75-9
(3-Chloro-4,5-dimethoxy-phenyl)-acetonitrile

Guidance literature:: Multi-step reaction with 3 steps

1: 82 percent / NaBH₄ / aq. ethanol / 1 h / 25 °C

2: 76 percent / 12 N aq. HCl / toluene / 1 h / Heating

3: 84 percent / sieve / 1 h

With hydrogenchloride; sodium tetrahydroborate; In ethanol; toluene;
DOI:10.1021/jm00161a029

Reference yield:

: 18268-78-5
(3-Chloro-4,5-dimethoxy-phenyl)-methanol

: 104113-75-9
(3-Chloro-4,5-dimethoxy-phenyl)-acetonitrile

Guidance literature:: Multi-step reaction with 2 steps

1: 76 percent / 12 N aq. HCl / toluene / 1 h / Heating

2: 84 percent / sieve / 1 h

With hydrogenchloride; In toluene;
DOI:10.1021/jm00161a029