1,2-Benzisoxazole-3-acetonitrile, alpha-[[2-(2-chloroethoxy)phenyl]methylene]-, (Z)-

Base Information

Chemical Name:1,2-Benzisoxazole-3-acetonitrile, alpha-[[2-(2-chloroethoxy)phenyl]methylene]-, (Z)-
CAS No.:82625-26-1
Molecular Formula:C₁₈H₁₃ClN₂O₂
Molecular Weight:324.766
Hs Code.:
DSSTox Substance ID:DTXSID601134959

Synonyms:DTXSID601134959;1,2-Benzisoxazole-3-acetonitrile, alpha-[[2-(2-chloroethoxy)phenyl]methylene]-, (Z)-;82625-26-1

Suppliers and Price of 1,2-Benzisoxazole-3-acetonitrile, alpha-[[2-(2-chloroethoxy)phenyl]methylene]-, (Z)-

Supply Marketing:

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

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Chemical Property of 1,2-Benzisoxazole-3-acetonitrile, alpha-[[2-(2-chloroethoxy)phenyl]methylene]-, (Z)-

Chemical Property:

XLogP3:4.1
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:5
Exact Mass:324.0665554
Heavy Atom Count:23
Complexity:473

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:

Useful:

Canonical SMILES:C1=CC=C(C(=C1)C=C(C#N)C2=NOC3=CC=CC=C32)OCCCl
Isomeric SMILES:C1=CC=C(C(=C1)/C=C(\C#N)/C2=NOC3=CC=CC=C32)OCCCl

Technology Process of 1,2-Benzisoxazole-3-acetonitrile, alpha-[[2-(2-chloroethoxy)phenyl]methylene]-, (Z)-

There total 1 articles about 1,2-Benzisoxazole-3-acetonitrile, alpha-[[2-(2-chloroethoxy)phenyl]methylene]-, (Z)- 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: 77.0%

: 50471-17-5
2-(benzo[d]isoxazol-3-yl)acetonitrile

: 54373-14-7
2-(2-chloroethoxy)benzoic aldehyde

: 82625-26-1
(Z)-2-(1,2-benzisoxazol-3-yl)-3-<2-(2-chloroethoxy)phenyl>acrylonitrile

Guidance literature:: With ammonium acetate; acetic acid; In benzene; for 18h; Heating;
DOI:10.1021/jm00352a029

Reference yield: 14.0%

: 92-54-6
4-phenyl-1-piperazine

: 82625-26-1
(Z)-2-(1,2-benzisoxazol-3-yl)-3-<2-(2-chloroethoxy)phenyl>acrylonitrile

: 82624-79-1
(Z)-2-Benzo[d]isoxazol-3-yl-3-{2-[2-(4-phenyl-piperazin-1-yl)-ethoxy]-phenyl}-acrylonitrile

Guidance literature:: With potassium iodide; In toluene; for 24h; Heating;
DOI:10.1021/jm00352a029

Reference yield:

: 82625-26-1
(Z)-2-(1,2-benzisoxazol-3-yl)-3-<2-(2-chloroethoxy)phenyl>acrylonitrile

: 82625-22-7
(Z)-2-(1,2-benzisoxazol-3-yl)-3-<2-(2-piperidinoethoxy)phenyl>acrylonitrile methiodide

Guidance literature:: Multi-step reaction with 2 steps

1: KI / toluene / 24 h / Heating

2: 52 percent / methanol / 5 h / Heating

With potassium iodide; In methanol; toluene;
DOI:10.1021/jm00352a029