Benzyl [(3aS,4R,7aS)-2,2-dimethyl-7-oxo-3a,4,7,7a-tetrahydro-2H-1,3-benzodioxol-4-yl]carbamate

Base Information

Chemical Name:Benzyl [(3aS,4R,7aS)-2,2-dimethyl-7-oxo-3a,4,7,7a-tetrahydro-2H-1,3-benzodioxol-4-yl]carbamate
CAS No.:138430-39-4
Molecular Formula:C₁₇H₁₉NO₅
Molecular Weight:317.342
Hs Code.:
DSSTox Substance ID:DTXSID60601971
Wikidata:Q82498860

Synonyms:138430-39-4;DTXSID60601971;Benzyl [(3aS,4R,7aS)-2,2-dimethyl-7-oxo-3a,4,7,7a-tetrahydro-2H-1,3-benzodioxol-4-yl]carbamate

Suppliers and Price of Benzyl [(3aS,4R,7aS)-2,2-dimethyl-7-oxo-3a,4,7,7a-tetrahydro-2H-1,3-benzodioxol-4-yl]carbamate

Supply Marketing:

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

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Chemical Property of Benzyl [(3aS,4R,7aS)-2,2-dimethyl-7-oxo-3a,4,7,7a-tetrahydro-2H-1,3-benzodioxol-4-yl]carbamate

Chemical Property:

XLogP3:1.7
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:4
Exact Mass:317.12632271
Heavy Atom Count:23
Complexity:495

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:

Useful:

Canonical SMILES:CC1(OC2C(C=CC(=O)C2O1)NC(=O)OCC3=CC=CC=C3)C
Isomeric SMILES:CC1(O[C@H]2[C@@H](C=CC(=O)[C@H]2O1)NC(=O)OCC3=CC=CC=C3)C

Technology Process of Benzyl [(3aS,4R,7aS)-2,2-dimethyl-7-oxo-3a,4,7,7a-tetrahydro-2H-1,3-benzodioxol-4-yl]carbamate

There total 7 articles about Benzyl [(3aS,4R,7aS)-2,2-dimethyl-7-oxo-3a,4,7,7a-tetrahydro-2H-1,3-benzodioxol-4-yl]carbamate 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: 35.0%

: 138448-91-6
3-(benzyloxycarbonyl)-1-chloro-5,6-O-isopropylidene-2-oxa-3-azabicyclo<2.2.2>oct-7-ene-5,6-diol

: 138430-39-4
((3aS,4R,7aS)-2,2-Dimethyl-7-oxo-3a,4,7,7a-tetrahydro-benzo[1,3]dioxol-4-yl)-carbamic acid benzyl ester

Guidance literature:: With 2,2'-azobis(isobutyronitrile); tri-n-butyl-tin hydride; In toluene;
DOI:10.1016/0040-4039(91)80757-W

Reference yield: 35.0%

: 138448-92-7
3-(benzyloxycarbonyl)-1-bromo-5,6-O-isopropylidene-2-oxa-3-azabicyclo<2.2.2>oct-7-ene-5,6-diol

: 138430-39-4
((3aS,4R,7aS)-2,2-Dimethyl-7-oxo-3a,4,7,7a-tetrahydro-benzo[1,3]dioxol-4-yl)-carbamic acid benzyl ester

Guidance literature:: With 2,2'-azobis(isobutyronitrile); tri-n-butyl-tin hydride; In toluene;
DOI:10.1016/0040-4039(91)80757-W

Reference yield:

: 3426-71-9
Benzyl N-hydroxycarbamate

: 138430-39-4
((3aS,4R,7aS)-2,2-Dimethyl-7-oxo-3a,4,7,7a-tetrahydro-benzo[1,3]dioxol-4-yl)-carbamic acid benzyl ester

Guidance literature:: Multi-step reaction with 2 steps

1: 54 percent / Bu₄NIO₄

2: 35 percent / Bu₃SnH, AIBN / toluene

With 2,2'-azobis(isobutyronitrile); tri-n-butyl-tin hydride; tetrabutylammonium periodite; In toluene;
DOI:10.1016/0040-4039(91)80757-W