1,3-Benzenediacetonitrile, 2-methoxy-

Base Information

Chemical Name:1,3-Benzenediacetonitrile, 2-methoxy-
CAS No.:144316-87-0
Molecular Formula:C11H10N2O
Molecular Weight:186.21000
Hs Code.:
DSSTox Substance ID:DTXSID90438515
Wikidata:Q82254277

Synonyms:1,3-Benzenediacetonitrile, 2-methoxy-;144316-87-0;2-[3-(cyanomethyl)-2-methoxyphenyl]acetonitrile;SCHEMBL9080677;DTXSID90438515;AKOS006311248

Suppliers and Price of 1,3-Benzenediacetonitrile, 2-methoxy-

Supply Marketing:

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

Manufacturers and distributors:

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Total 0 raw suppliers

Chemical Property of 1,3-Benzenediacetonitrile, 2-methoxy-

Chemical Property:

PSA：56.81000
LogP:1.82736
XLogP3:1.2
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:3
Exact Mass:186.079312947
Heavy Atom Count:14
Complexity:244

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:COC1=C(C=CC=C1CC#N)CC#N

Technology Process of 1,3-Benzenediacetonitrile, 2-methoxy-

There total 3 articles about 1,3-Benzenediacetonitrile, 2-methoxy- 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: 95.0%

: 30787-74-7
2,6-bis(bromomethyl)anisole

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

: 144316-87-0
2,6-bis(cyanomethyl)anisole

Guidance literature:: With hexadecyldimethylethylammonium bromide; In water; benzene; for 5h; Heating;
DOI:10.1021/jo00051a010

Reference yield:

: 30787-74-7
2,6-bis(bromomethyl)anisole

: 124-03-8
hexadecyldimethylethylammonium bromide

: 144316-87-0
2,6-bis(cyanomethyl)anisole

Guidance literature:: In water; benzene;

Reference yield:

: 1004-66-6
2-methoxy-1,3-dimethylbenzene

: 144316-87-0
2,6-bis(cyanomethyl)anisole

Guidance literature:: Multi-step reaction with 2 steps

1: 72 percent / N,N'-dibromo-5,5-dimethylhydantoin, benzoyl peroxide / CCl₄ / 2 h / Heating; Irradiation

2: 95 percent / hexadecyldimethylethylammonium bromide / benzene; H₂O / 5 h / Heating

With Perbenzoic acid; 1,3-dibromo-5,5-dimethylimidazolidine-2,4-dione; hexadecyldimethylethylammonium bromide; In tetrachloromethane; water; benzene;
DOI:10.1021/jo00051a010