Carbamic acid, [2-(2,2-dimethyl-4H-1,3-benzodioxin-6-yl)-2-oxoethyl]-, 1,1-dimethylethyl ester

Base Information

Chemical Name:Carbamic acid, [2-(2,2-dimethyl-4H-1,3-benzodioxin-6-yl)-2-oxoethyl]-, 1,1-dimethylethyl ester
CAS No.:452339-71-8
Molecular Formula:C17H23NO5
Molecular Weight:321.373
Hs Code.:
DSSTox Substance ID:DTXSID101131574
Mol file:452339-71-8.mol

Synonyms:452339-71-8;Carbamic acid, [2-(2,2-dimethyl-4H-1,3-benzodioxin-6-yl)-2-oxoethyl]-, 1,1-dimethylethyl ester;tert-Butyl (2-(2,2-dimethyl-4H-benzo[d][1,3]dioxin-6-yl)-2-oxoethyl)carbamate;tert-butyl 2-(2,2-dimethyl-4H-1,3-benzodioxin-6-yl)-2-oxoethylcarbamate;tert-butyl N-[2-(2,2-dimethyl-4H-1,3-benzodioxin-6-yl)-2-oxoethyl]carbamate;SCHEMBL925393;YIIVONGCNAQATO-UHFFFAOYSA-N;DTXSID101131574;BCP32817;CS-M2586;AKOS037649778;CarbaMic acid,[2-(2,2-diMethyl-4H-1,3-benzodioxin-6-yl)-2-oxoethyl]-,1,1-diMethylethyl ester;CS-13629;tert-butyl 2-(2,2-dimethyl-4h1,3-benzodioxin-6-yl)-2-oxoethylcarbamate;1,1-Dimethylethyl N-[2-(2,2-dimethyl-4H-1,3-benzodioxin-6-yl)-2-oxoethyl]carbamate;Tert-butyl N-(2-(2,2-dimethyl-4H-benzo[d][1,3]dioxin-6-yl)-2-oxoethyl)carbamate;tert-Butyl(2-(2,2-dimethyl-4H-benzo[d][1,3]dioxin-6-yl)-2-oxoethyl)carbamate

Suppliers and Price of Carbamic acid, [2-(2,2-dimethyl-4H-1,3-benzodioxin-6-yl)-2-oxoethyl]-, 1,1-dimethylethyl ester

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 29 raw suppliers

Chemical Property of Carbamic acid, [2-(2,2-dimethyl-4H-1,3-benzodioxin-6-yl)-2-oxoethyl]-, 1,1-dimethylethyl ester

Chemical Property:

Boiling Point:489.1±45.0 °C(Predicted)
PKA:10.92±0.46(Predicted)
PSA：73.86000
Density:1.134±0.06 g/cm3(Predicted)
LogP:3.43000
XLogP3:2.5
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:5
Exact Mass:321.15762283
Heavy Atom Count:23
Complexity:454

Purity/Quality:: 98%, ^*data from raw suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC1(OCC2=C(O1)C=CC(=C2)C(=O)CNC(=O)OC(C)(C)C)C

Technology Process of Carbamic acid, [2-(2,2-dimethyl-4H-1,3-benzodioxin-6-yl)-2-oxoethyl]-, 1,1-dimethylethyl ester

There total 8 articles about Carbamic acid, [2-(2,2-dimethyl-4H-1,3-benzodioxin-6-yl)-2-oxoethyl]-, 1,1-dimethylethyl ester 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: 94.0%

: tert-butyl (2-(4-hydroxy-3-(hydroxymethyl)phenyl)-2-oxoethyl)carbamate

: 77-76-9
2,2-dimethoxy-propane

: 452339-71-8
tert-butyl 2-(2,2-dimethyl-4H-1,3-benzodioxane-6-yl)-2-carbonylethylcarbamate

Guidance literature:: With graphene oxide; In chloroform; at 80 ℃; for 8h; Solvent; Temperature;

Reference yield: 76.0%

: 452339-70-7
di-(tert-butyl) 2-(2,2-dimethyl-4H-1,3-benzodioxin-6-yl)-2-oxoethyliminodicarbonate

: 452339-71-8
tert-butyl 2-(2,2-dimethyl-4H-1,3-benzodioxane-6-yl)-2-carbonylethylcarbamate

Guidance literature:: With trifluoroacetic acid; In dichloromethane; at 10 - 25 ℃; for 5h;

Reference yield:

: 102293-80-1
2-bromo-1-(2,2-dimethyl-4H-benzo[d][1,3]dioxin-6-yl)ethanone

: 452339-71-8
tert-butyl 2-(2,2-dimethyl-4H-1,3-benzodioxane-6-yl)-2-carbonylethylcarbamate

Guidance literature:: Multi-step reaction with 2 steps

1: 28 percent / Cs₂CO₃ / acetonitrile / 24 h / 21 °C

2: 43 percent / CF₃CO₂H / CH₂Cl₂ / 4 h / 20 °C

With caesium carbonate; trifluoroacetic acid; In dichloromethane; acetonitrile;
DOI:10.1039/b212454h