N-Propionyl-(2S)-bornane-10,2-sultam

Base Information

• Chemical Name: N-Propionyl-(2S)-bornane-10,2-sultam
• CAS No.: 128947-19-3
• Molecular Formula: C13H21 N O3 S
• Molecular Weight: 271.381
• DSSTox Substance ID: DTXSID70454394
• Nikkaji Number: J1.425.475G
• Wikidata: Q82275894
• Mol file: 128947-19-3.mol

Synonyms:128947-19-3;1-((3aR,6S,7aS)-8,8-Dimethyl-2,2-dioxidohexahydro-1H-3a,6-methanobenzo[c]isothiazol-1-yl)propan-1-one;N-Propionyl-(2S)-bornane-10,2-sultam;N-PROPIONYL-(2S)-BORNANE- 10,2-SULTAM;1-[(1R,5S,7S)-10,10-dimethyl-3,3-dioxo-3lambda6-thia-4-azatricyclo[5.2.1.01,5]decan-4-yl]propan-1-one;3H-3a,6-Methano-2,1-benzisothiazole, hexahydro-8,8-dimethyl-1-(1-oxopropyl)-, 2,2-dioxide, (3aR,6S,7aS)-;SCHEMBL20825754;DTXSID70454394;JEMOGQYNLSWGPL-KWBADKCTSA-N;N-Propionyl-(2S)-camphorsultam;AKOS016844192;AC-28348;AM20120713;A888922;(3aR,6S,7aS)-8,8-Dimethyl-1-propanoylhexahydro-3a,6-methano-2lambda~6~-2lambda~6~,1-benzothiazole-2,2(3H)-dione;3H-3a,6-Methano-2,1-benzisothiazole,hexahydro-8,8-dimethyl-1-(1-oxopropyl)-,2,2-dioxide,(3ar,6s,7as)-

Chemical Property of N-Propionyl-(2S)-bornane-10,2-sultam

Chemical Property:

• PSA: 62.83000
• LogP: 2.78200
• Storage Temp.: 2-8°C
• XLogP3: 2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 271.12421471
• Heavy Atom Count: 18
• Complexity: 505

Purity/Quality:

97% ^*data from raw suppliers

1-((3aR,6S,7aS)-8,8-Dimethyl-2,2-dioxidohexahydro-1H-3a,6-methanobenzo[c]isothiazol-1-yl)propan-1-one 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCC(=O)N1C2CC3CCC2(C3(C)C)CS1(=O)=O
• Isomeric SMILES: CCC(=O)N1[C@H]2C[C@@H]3CC[C@]2(C3(C)C)CS1(=O)=O

Technology Process of N-Propionyl-(2S)-bornane-10,2-sultam

There total 1 articles about N-Propionyl-(2S)-bornane-10,2-sultam 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: 97.0%

propionyl chloride (79-03-8) + (+)-camphorsultam (108448-77-7,124224-04-0) → (2S)-N-propionylcamphorsultam (128947-19-3)

Guidance literature:

With dmap; triethylamine; In tetrahydrofuran; at 0 - 20 ℃; for 3.5h;

Reference yield: 89.0%

(2S)-N-propionylcamphorsultam (128947-19-3) + iodomethylbenzene (620-05-3) → (R)-1-((1R,5S,7S)-10,10-Dimethyl-3,3-dioxo-3λ6-thia-4-aza-tricyclo[5.2.1.01,5]dec-4-yl)-2-methyl-3-phenyl-propan-1-one

Guidance literature:

With N,N,N,N,N,N-hexamethylphosphoric triamide; n-butyllithium; In tetrahydrofuran; hexane; at -70 - -50 ℃;

DOI:10.1002/hlca.19970800502

Reference yield: 85.0%

(2S)-N-propionylcamphorsultam (128947-19-3) + C19H15FNP → C32H36FN2O3PS

Guidance literature:

(2S)-N-propionylcamphorsultam; With lithium hexamethyldisilazane; In tetrahydrofuran; at -78 ℃; for 0.5h;

C₁₉H₁₅FNP; In tetrahydrofuran; at -78 ℃; for 4h;

upstream raw materials:

propionyl chloride

(+)-camphorsultam

Downstream raw materials:

(2S,3R,4S,5S)-7-Benzyloxy-5-(tert-butyl-dimethyl-silanyloxy)-1-((1R,5S,7S)-10,10-dimethyl-3,3-dioxo-3λ⁶-thia-4-aza-tricyclo[5.2.1.0^1,5]dec-4-yl)-3-hydroxy-2,4-dimethyl-heptan-1-one

(2S,3R,4R,5S)-7-Benzyloxy-3,5-bis-(tert-butyl-dimethyl-silanyloxy)-1-((1R,5S,7S)-10,10-dimethyl-3,3-dioxo-3λ⁶-thia-4-aza-tricyclo[5.2.1.0^1,5]dec-4-yl)-2,4-dimethyl-heptan-1-one

C₂₅H₃₅NO₆S

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