Benzene, 1-(1-isocyanato-1-methylethyl)-3-methoxy-

Base Information

Chemical Name:Benzene, 1-(1-isocyanato-1-methylethyl)-3-methoxy-
CAS No.:109138-26-3
Molecular Formula:C11H13NO2
Molecular Weight:191.23
Hs Code.:
DSSTox Substance ID:DTXSID90441706
Mol file:109138-26-3.mol

Synonyms:Benzene, 1-(1-isocyanato-1-methylethyl)-3-methoxy-;109138-26-3;1-(2-ISOCYANATOPROPAN-2-YL)-3-METHOXYBENZENE;SCHEMBL1355507;DTXSID90441706;OBIAVIRBUSQCAT-UHFFFAOYSA-N;1-(1-isocyanato-1-methylethyl)-3-methoxybenzene;EN300-1845315

Suppliers and Price of Benzene, 1-(1-isocyanato-1-methylethyl)-3-methoxy-

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
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price

Total 1 raw suppliers

Chemical Property of Benzene, 1-(1-isocyanato-1-methylethyl)-3-methoxy-

Chemical Property:

XLogP3:3.2
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:3
Exact Mass:191.094628657
Heavy Atom Count:14
Complexity:231

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC(C)(C1=CC(=CC=C1)OC)N=C=O

Technology Process of Benzene, 1-(1-isocyanato-1-methylethyl)-3-methoxy-

There total 4 articles about Benzene, 1-(1-isocyanato-1-methylethyl)-3-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: 96.0%

: 17653-94-0
α-methyl-α-(3-methoxyphenyl)proprionic acid

: 109138-26-3
1-(1-Isocyanato-1-methylethyl)-3-methoxybenzene

Guidance literature:: With diphenyl phosphoryl azide; triethylamine; In toluene; for 3h; Heating;
DOI:10.1021/jm960243v

Reference yield:

: 17653-93-9
2-(3'-Methoxyphenyl)-2-methylpropionitrile

: 109138-26-3
1-(1-Isocyanato-1-methylethyl)-3-methoxybenzene

Guidance literature:: Multi-step reaction with 2 steps

1: 81 percent / KOH, H₂O / methanol / Heating

2: 96 percent / Et₃N, diphenyl phosphorazidate / toluene / 3 h / Heating

With potassium hydroxide; diphenyl phosphoryl azide; water; triethylamine; In methanol; toluene;
DOI:10.1021/jm960243v

Reference yield:

: 3146-60-9
2-(3-methoxyphenyl)propanoic acid

: 109138-26-3
1-(1-Isocyanato-1-methylethyl)-3-methoxybenzene

Guidance literature:: Multi-step reaction with 2 steps

1.1: lithium diisopropyl amide / tetrahydrofuran / 1 h / 0 - 45 °C / Inert atmosphere

1.2: 0 - 20 °C / Inert atmosphere

2.1: diphenyl phosphoryl azide; triethylamine / toluene / 4 h / Reflux

With diphenyl phosphoryl azide; triethylamine; lithium diisopropyl amide; In tetrahydrofuran; toluene;
DOI:10.1021/acs.orglett.8b02856