(3S,9S,12R)-3-Benzyl-9-[(7R)-7-hydroxy-6-oxooctyl]-6,6-dimethyl-1,4,7,10-tetrazabicyclo[10.3.0]pentadecane-2,5,8,11-tetrone

Base Information

Chemical Name:(3S,9S,12R)-3-Benzyl-9-[(7R)-7-hydroxy-6-oxooctyl]-6,6-dimethyl-1,4,7,10-tetrazabicyclo[10.3.0]pentadecane-2,5,8,11-tetrone
CAS No.:52574-64-8
Molecular Formula:C₂₈H₄₀N₄O₆
Molecular Weight:528.649
Hs Code.:
DSSTox Substance ID:DTXSID501017904
Nikkaji Number:J1.889.359B
Wikidata:Q77500066
Metabolomics Workbench ID:108252
ChEMBL ID:CHEMBL474318

Synonyms:157618-75-2;CHEMBL474318;(3S,9S,12R)-3-Benzyl-9-[(7R)-7-hydroxy-6-oxooctyl]-6,6-dimethyl-1,4,7,10-tetrazabicyclo[10.3.0]pentadecane-2,5,8,11-tetrone;SCHEMBL17072219;UXOLDMJAFJDQSE-RYFAJOAYSA-N;DTXSID501017904;BDBM50588306;(1R,4S,10S)-4-[(7R)-7-Hydroxy-6-oxooctyl]-7,7-dimethyl-10-benzyl-3,6,9,12-tetraazabicyclo[10.3.0]pentadecane-2,5,8,11-tetrone

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

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Chemical Property of (3S,9S,12R)-3-Benzyl-9-[(7R)-7-hydroxy-6-oxooctyl]-6,6-dimethyl-1,4,7,10-tetrazabicyclo[10.3.0]pentadecane-2,5,8,11-tetrone

Chemical Property:

XLogP3:1.7
Hydrogen Bond Donor Count:4
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:9
Exact Mass:528.29478501
Heavy Atom Count:38
Complexity:885

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:

Useful:

Canonical SMILES:CC(C(=O)CCCCCC1C(=O)NC(C(=O)NC(C(=O)N2CCCC2C(=O)N1)CC3=CC=CC=C3)(C)C)O
Isomeric SMILES:C[C@H](C(=O)CCCCC[C@H]1C(=O)NC(C(=O)N[C@H](C(=O)N2CCC[C@@H]2C(=O)N1)CC3=CC=CC=C3)(C)C)O

Technology Process of (3S,9S,12R)-3-Benzyl-9-[(7R)-7-hydroxy-6-oxooctyl]-6,6-dimethyl-1,4,7,10-tetrazabicyclo[10.3.0]pentadecane-2,5,8,11-tetrone

There total 28 articles about (3S,9S,12R)-3-Benzyl-9-[(7R)-7-hydroxy-6-oxooctyl]-6,6-dimethyl-1,4,7,10-tetrazabicyclo[10.3.0]pentadecane-2,5,8,11-tetrone 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: 27.0%

: 52574-64-8,107982-60-5,107982-61-6,108146-59-4
(5S,11S,13aR)-5-Benzyl-11-((R)-6-hydroxy-6-(S)-oxiranyl-hexyl)-8,8-dimethyl-decahydro-3a,6,9,12-tetraaza-cyclopentacyclododecene-4,7,10,13-tetraone

Guidance literature:: With titanium(IV) isopropylate; tert.-butylhydroperoxide; (-)-diisopropyl tartrate; In dichloromethane;
DOI:10.1016/S0040-4039(00)84399-3

Reference yield: 24.0%

: 52574-64-8,107982-60-5,107982-61-6,108146-59-4
(5S,11S,13aR)-5-Benzyl-11-((S)-6-hydroxy-6-(R)-oxiranyl-hexyl)-8,8-dimethyl-decahydro-3a,6,9,12-tetraaza-cyclopentacyclododecene-4,7,10,13-tetraone

Guidance literature:: With titanium(IV) isopropylate; tert.-butylhydroperoxide; L-(+)-diisopropyl tartrate; In dichloromethane;
DOI:10.1016/S0040-4039(00)84399-3

Reference yield:

: 108071-98-3
Methyl of N-<2(S)-benzyloxycarbonylamino-10-chloro-8(S),9(R)-O-isopropylidenedecanoyl>-dimethylglycyl-(S)-phenylalanyl-(R)-prolinate

: 52574-64-8,107982-60-5,107982-61-6,108146-59-4
Dihydrochlamydocin

Guidance literature:: Multi-step reaction with 4 steps

1: NaOH / H₂O; dioxane / 5 h / Ambient temperature

2: DCCD / ethyl acetate / -20 deg C to RT

3: 94 percent / H₂ / Pd / dioxane / 5 h / 95 °C

4: 1.) HOOC-COOH 2.) K₂CO₃ / 1.) dioxane/H₂O, 80 deg C, 4 h 2.) MeOH, RT, 4 h

With sodium hydroxide; hydrogen; oxalic acid; potassium carbonate; dicyclohexyl-carbodiimide; palladium; In 1,4-dioxane; water; ethyl acetate;