Eseramine

Base Information

Chemical Name:Eseramine
CAS No.:6091-57-2
Molecular Formula:C16H22N4O3
Molecular Weight:318.37
Hs Code.:
UNII:PE4VD738WT
DSSTox Substance ID:DTXSID10976383
Nikkaji Number:J12.769H
Wikidata:Q27106508
Metabolomics Workbench ID:69118
Mol file:6091-57-2.mol

Synonyms:Eseramine;6091-57-2;PE4VD738WT;UNII-PE4VD738WT;[(3aS,8bS)-4,8b-dimethyl-3-(methylcarbamoyl)-2,3a-dihydro-1H-pyrrolo[2,3-b]indol-7-yl] N-methylcarbamate;Pyrrolo(2,3-b)indole-1(2H)-carboxamide, 3,3a,8,8a-tetrahydro-N,3a,8-trimethyl-5-(((methylamino)carbonyl)oxy)-, (3aS-cis)-;C09170;AC1L9C7N;SureCN2685980;ESERAMINE, (-)-;CHEBI:4854;SCHEMBL2685980;DTXSID10976383;Q27106508;(3AS,8AS)-3,3A,8,8A-TETRAHYDRO-N,3A,8-TRIMETHYL-5-(((METHYLAMINO)CARBONYL)OXY)PYRROLO(2,3-B)INDOLE-1(2H)-CARBOXAMIDE;(3aS-cis)-3,3a,8,8a-Tetrahydro-N,3a,8-trimethyl-5-[[(methylamino)carbonyl]oxy]-pyrrolo[2,3-b]indole-1(2H)-carboxamide;5-[Hydroxy(methylimino)methoxy]-N,3a,8-trimethyl-3,3a,8,8a-tetrahydropyrrolo[2,3-b]indole-1(2H)-carboximidic acid;PYRROLO(2,3-B)INDOLE-1(2H)-CARBOXAMIDE, 3,3A,8,8A-TETRAHYDRO-N,3A,8-TRIMETHYL-5-(((METHYLAMINO)CARBONYL)OXY)-, (3AS,8AS)-

Suppliers and Price of Eseramine

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

Total 6 raw suppliers

Chemical Property of Eseramine

Chemical Property:

Vapor Pressure:3.29E-11mmHg at 25°C
Melting Point:197 - 201 °C
Boiling Point:527.3°C at 760 mmHg
Flash Point:272.7°C
PSA：73.91000
Density:1.242g/cm³
LogP:2.26820
XLogP3:0
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:2
Exact Mass:318.16919058
Heavy Atom Count:23
Complexity:500

Purity/Quality:: 98% ^*data from raw suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC12CCN(C1N(C3=C2C=C(C=C3)OC(=O)NC)C)C(=O)NC
Isomeric SMILES:C[C@@]12CCN([C@@H]1N(C3=C2C=C(C=C3)OC(=O)NC)C)C(=O)NC

Technology Process of Eseramine

There total 7 articles about Eseramine 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:

: 116103-15-2
(-)-(3aS)-1-benzyl-3a,8-dimethyl-1,2,3,3a,8,8a-hexahydro-5-methoxypyrrolo[2,3-b]indole

: 6091-57-2
(-)-eseramine

Guidance literature:: Multi-step reaction with 4 steps

1: 1.) BBr₃, 2.) MeOH / 1.) CH₂Cl₂, room temperature, 1 h, 2.) 5 min

2: 1.) Na / 1.) Et₂O, room temperature, 1.5 min, 2.) room temperature, 30 min

3: hydrogen / Pd(OH)2 / methanol / 1 h

4: 24 mg / diethyl ether

With methanol; hydrogen; sodium; boron tribromide; palladium dihydroxide; In methanol; diethyl ether;
DOI:10.1021/jm00120a008

Reference yield:

: 104069-11-6
(3aS,8aR)-5-methoxy-3a,8-dimethyl-1,2,3,3a,8,8a-hexahydropyrrolo[2,3-b]indole

: 6091-57-2
(-)-eseramine

Guidance literature:: Multi-step reaction with 5 steps

1: 1.3 g / K₂CO₃ / acetonitrile / 1 h / Ambient temperature

2: 1.) BBr₃, 2.) MeOH / 1.) CH₂Cl₂, room temperature, 1 h, 2.) 5 min

3: 1.) Na / 1.) Et₂O, room temperature, 1.5 min, 2.) room temperature, 30 min

4: hydrogen / Pd(OH)2 / methanol / 1 h

5: 24 mg / diethyl ether

With methanol; hydrogen; sodium; boron tribromide; potassium carbonate; palladium dihydroxide; In methanol; diethyl ether; acetonitrile;
DOI:10.1021/jm00120a008

Reference yield:

: 116103-16-3
(-)-(3aS)-1-benzyl-3a,8-dimethyl-1,2,3,3a,8,8a-hexahydropyrrolo[2,3-b]indol-5-ol

: 6091-57-2
(-)-eseramine

Guidance literature:: Multi-step reaction with 3 steps

1: 1.) Na / 1.) Et₂O, room temperature, 1.5 min, 2.) room temperature, 30 min

2: hydrogen / Pd(OH)2 / methanol / 1 h

3: 24 mg / diethyl ether

With hydrogen; sodium; palladium dihydroxide; In methanol; diethyl ether;
DOI:10.1021/jm00120a008