Carbonic acid, (3aS,8S,9R,9aR,9bR)-octahydro-9-hydroxy-2,2-dimethyl-1,3-dioxino[4,5,6-hi]indolizin-8-yl phenylmethyl ester

Base Information

Chemical Name:Carbonic acid, (3aS,8S,9R,9aR,9bR)-octahydro-9-hydroxy-2,2-dimethyl-1,3-dioxino[4,5,6-hi]indolizin-8-yl phenylmethyl ester
CAS No.:134100-30-4
Molecular Formula:C₁₉H₂₅NO₆
Molecular Weight:363.411
Hs Code.:
DSSTox Substance ID:DTXSID501104589

Synonyms:DTXSID501104589;134100-30-4;Carbonic acid, (3aS,8S,9R,9aR,9bR)-octahydro-9-hydroxy-2,2-dimethyl-1,3-dioxino[4,5,6-hi]indolizin-8-yl phenylmethyl ester

Suppliers and Price of Carbonic acid, (3aS,8S,9R,9aR,9bR)-octahydro-9-hydroxy-2,2-dimethyl-1,3-dioxino[4,5,6-hi]indolizin-8-yl phenylmethyl ester

Supply Marketing:

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

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Chemical Property of Carbonic acid, (3aS,8S,9R,9aR,9bR)-octahydro-9-hydroxy-2,2-dimethyl-1,3-dioxino[4,5,6-hi]indolizin-8-yl phenylmethyl ester

Chemical Property:

XLogP3:1.8
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:5
Exact Mass:363.16818752
Heavy Atom Count:26
Complexity:520

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:

Useful:

Canonical SMILES:CC1(OC2CCN3C2C(O1)C(C(C3)OC(=O)OCC4=CC=CC=C4)O)C
Isomeric SMILES:CC1(O[C@H]2CCN3[C@H]2[C@@H](O1)[C@@H]([C@H](C3)OC(=O)OCC4=CC=CC=C4)O)C

Technology Process of Carbonic acid, (3aS,8S,9R,9aR,9bR)-octahydro-9-hydroxy-2,2-dimethyl-1,3-dioxino[4,5,6-hi]indolizin-8-yl phenylmethyl ester

There total 1 articles about Carbonic acid, (3aS,8S,9R,9aR,9bR)-octahydro-9-hydroxy-2,2-dimethyl-1,3-dioxino[4,5,6-hi]indolizin-8-yl phenylmethyl 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: 90.0%

: 130446-91-2
1,8-O-isopropylidenylcastanospermine

: 501-53-1,94274-21-2
benzyl chloroformate

: 134100-30-4
6-O-carbobenzyloxy-1,8-O-isopropylidenecastanospermine

Guidance literature:: With triethylamine; In tetrahydrofuran;
DOI:10.1016/S0040-4039(00)74866-0

Reference yield: 84.0%

: 134100-30-4
6-O-carbobenzyloxy-1,8-O-isopropylidenecastanospermine

: 586-75-4
4-chlorobenzoyl chloride

: 134100-31-5
4-Bromo-benzoic acid (3aS,8S,9R,9aR,9bR)-8-benzyloxycarbonyloxy-2,2-dimethyl-octahydro-[1,3]dioxino[4,5,6-hi]indolizin-9-yl ester

Guidance literature:: With triethylamine;
DOI:10.1016/S0040-4039(00)74866-0

Reference yield:

: 134100-30-4
6-O-carbobenzyloxy-1,8-O-isopropylidenecastanospermine

: [1S-(1α,6β,7α,8β,8aβ)]-6-azidooctahydro-1,7,8-indolizinetriol 1,8-diacetate 7-benzoate

Guidance literature:: Multi-step reaction with 6 steps

1: 84 percent / Et₃N

2: 1) HCl, 2) pyridine / 1) MeOH

3: 91 percent / cyclohexene / 10percent Pd-C / methanol

4: NEt₃

5: NaI / ethyl acetate

6: NaN₃ / dimethylformamide

With pyridine; hydrogenchloride; sodium azide; triethylamine; sodium iodide; cyclohexene; palladium on activated charcoal; In methanol; ethyl acetate; N,N-dimethyl-formamide;
DOI:10.1016/S0040-4039(00)74866-0