3-Methoxybicyclo[4.2.0]octa-1,3,5-triene-7-carbonitrile

Base Information

Chemical Name:3-Methoxybicyclo[4.2.0]octa-1,3,5-triene-7-carbonitrile
CAS No.:56437-05-9
Molecular Formula:C10H9NO
Molecular Weight:159.188
Hs Code.:
DSSTox Substance ID:DTXSID30372949
Nikkaji Number:J1.463.325A

Synonyms:3-methoxybicyclo[4.2.0]octa-1,3,5-triene-7-carbonitrile;56437-05-9;4-methoxybenzocyclobutane-1-carbonitrile;SCHEMBL3163095;DTXSID30372949;NWWZPEXREHUVKB-UHFFFAOYSA-N;AKOS004907888;4-Methoxy-1,2-dihydrobenzocyclobutene-1-carbonitrile

Suppliers and Price of 3-Methoxybicyclo[4.2.0]octa-1,3,5-triene-7-carbonitrile

Supply Marketing:

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

Manufacturers and distributors:

Manufacture/Brand
Chemicals and raw materials
Packaging
price

American Custom Chemicals Corporation
3-METHOXY-BICYCLO[4.2.0]OCTA-1,3,5-TRIENE-7-CARBONITRILE 95.00%
5MG
$ 503.84

Total 2 raw suppliers

Chemical Property of 3-Methoxybicyclo[4.2.0]octa-1,3,5-triene-7-carbonitrile

Chemical Property:

Melting Point:58-60℃
PSA：33.02000
LogP:1.85848
XLogP3:0.9
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:1
Exact Mass:159.068413911
Heavy Atom Count:12
Complexity:217

Purity/Quality:

99% ^*data from raw suppliers

3-METHOXY-BICYCLO[4.2.0]OCTA-1,3,5-TRIENE-7-CARBONITRILE 95.00% ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:COC1=CC2=C(C=C1)C(C2)C#N

Technology Process of 3-Methoxybicyclo[4.2.0]octa-1,3,5-triene-7-carbonitrile

There total 10 articles about 3-Methoxybicyclo[4.2.0]octa-1,3,5-triene-7-carbonitrile 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: 69.0%

: 60100-18-7
3-(2-bromo-5-methoxyphenyl)propanenitrile

: 56437-05-9
1-cyano-4-methoxybenzocyclobutane

Guidance literature:: With sodium amide; In tetrahydrofuran; at -78 - -33 ℃;
DOI:10.1021/jo2002616

Reference yield: 52.0%

: 84452-07-3
1-Dichloromethyl-4-methoxy-2-methyl-benzene

: 56437-05-9
1-cyano-4-methoxybenzocyclobutane

Guidance literature:: In dimethyl sulfoxide;
DOI:10.1016/S0040-4039(00)88653-0

Reference yield:

: 58986-30-4,60100-17-6
α-cyano-β-(2-bromo-5-methoxyphenyl)propionic acid

: 56437-05-9
1-cyano-4-methoxybenzocyclobutane

Guidance literature:: Multi-step reaction with 2 steps

1: N,N-dimethyl-acetamide / Heating

2: 64 percent / Na / liquid ammonia / -33 °C

With sodium; In N,N-dimethyl acetamide; ammonia;