(3aR,4R,7S,7aS)-hexahydro-1H-4,7-methanoisoindole-1,3(2H)-dione

Base Information

Chemical Name:(3aR,4R,7S,7aS)-hexahydro-1H-4,7-methanoisoindole-1,3(2H)-dione
CAS No.:28871-95-6
Molecular Formula:C₉H₁₁NO₂
Molecular Weight:165.192
Hs Code.:
European Community (EC) Number:696-647-7
DSSTox Substance ID:DTXSID00574852
Nikkaji Number:J540.998E
Wikidata:Q72496722
Mol file:28871-95-6.mol

Synonyms:28871-95-6;(3aR,4R,7S,7aS)-hexahydro-1H-4,7-methanoisoindole-1,3(2H)-dione;endo-2,3-Norbornanedicarboximide;endo-Hexahydro-1H-4,7-methanoisoindole-1,3(2H)-dione;1807983-67-0;(3aR,4R,7S,7aS)-Hexahydro-4,7-methano-1H-isoindole-1,3(2H)-dione;endo-4-Aza-tricyclo[5.2.1.0*2,6*]decane-3,5-dione;(1R,2R,6S,7S)-4-azatricyclo[5.2.1.02,6]decane-3,5-dione;4,7-Methano-1H-isoindole-1,3(2H)-dione, hexahydro-, (3aR,4R,7S,7aS)-rel-;MFCD13193124;SCHEMBL12967711;DTXSID00574852;AKOS022171626;AS-72943;CS-0077639;hexahydro-1H-4,7-methanoisoindole-1,3-dione;A876589;4-Aza-tricyclo[5.2.1.0*2,6*]decane-3,5-dione;(1R,2R,6S,7S)-4-azatricyclo[5.2.1.0?,?]decane-3,5-dione;(1R,2R,6S,7S)-4-AZATRICYCLO[5.2.1.0(2),?]DECANE-3,5-DIONE

Suppliers and Price of (3aR,4R,7S,7aS)-hexahydro-1H-4,7-methanoisoindole-1,3(2H)-dione

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
Packaging
price

TRC
Endo-2,3-Norbornanedicarboximide
250mg
$ 155.00

Crysdot
endo-Hexahydro-1H-4,7-methanoisoindole-1,3(2H)-dione 97%
250mg
$ 118.00

Crysdot
endo-Hexahydro-1H-4,7-methanoisoindole-1,3(2H)-dione 97%
1g
$ 266.00

Chemenu
(3aR,4R,7S,7aS)-hexahydro-1H-4,7-methanoisoindole-1,3(2H)-dione 97%
1g
$ 632.00

Activate Scientific
endo-Hexahydro-1H-4,7-methanoisoindole-1,3(2H)-dione 98%
5 g
$ 217.00

Total 18 raw suppliers

Chemical Property of (3aR,4R,7S,7aS)-hexahydro-1H-4,7-methanoisoindole-1,3(2H)-dione

Chemical Property:

PSA：46.17000
Density:1.285±0.06 g/cm3 (20 oC 760 Torr)
LogP:0.63390
Storage Temp.:under inert gas (nitrogen or Argon) at 2-8°C
XLogP3:0.7
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:0
Exact Mass:165.078978594
Heavy Atom Count:12
Complexity:248

Purity/Quality:

97% ^*data from raw suppliers

Endo-2,3-Norbornanedicarboximide ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:C1CC2CC1C3C2C(=O)NC3=O
Isomeric SMILES:C1C[C@H]2C[C@@H]1[C@@H]3[C@H]2C(=O)NC3=O
Uses Endo-2,3-Norbornanedicarboximide is used to prepare piperidinylbenzisoxazole antipsychotic drugs.

Technology Process of (3aR,4R,7S,7aS)-hexahydro-1H-4,7-methanoisoindole-1,3(2H)-dione

There total 5 articles about (3aR,4R,7S,7aS)-hexahydro-1H-4,7-methanoisoindole-1,3(2H)-dione 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%

: 6265-30-1
(1R,2S,6R,7S)-4-azatricyclo[5.2.1.0(2,6)]dec-8-ene-3,5-dione

: 6713-41-3,14805-29-9,28871-95-6,1318027-24-5
endo-bicyclo<2.2.1>heptane-2,3-dicarboximide

Guidance literature:: With palladium 10% on activated carbon; In methanol; dichloromethane; at 20 ℃; for 63h;
DOI:10.1039/c5ob01519g

Reference yield: 75.54%

: 17812-27-0,853658-14-7
cis-5-norbornene-endo-2,3-dicarboxylic anhydride

: 6713-41-3,14805-29-9,28871-95-6,1318027-24-5
endo-bicyclo<2.2.1>heptane-2,3-dicarboximide

Guidance literature:: With ammonium hydroxide; In tetrahydrofuran; water; at 130 ℃; for 2h;

Reference yield:

: 129-64-6
3,6-endomethylene-1,2,3,6-tetrahydrophthalic anhydride

: 6713-41-3,14805-29-9,28871-95-6,1318027-24-5
endo-bicyclo<2.2.1>heptane-2,3-dicarboximide

Guidance literature:: Multi-step reaction with 2 steps

1: Raney nickel; dioxane / Hydrogenation

2: ammonia / 170 °C

With 1,4-dioxane; ammonia; nickel;
DOI:10.1007/BF03263140