methyl (6aR)-7-methyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinoline-9-carboxylate

Base Information Edit

Chemical Name:methyl (6aR)-7-methyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinoline-9-carboxylate
CAS No.:35470-53-2
Molecular Formula:C₁₇H₂₀N₂O₂
Molecular Weight:284.358
Hs Code.:
European Community (EC) Number:805-979-5
Mol file:35470-53-2.mol

Synonyms:Methyl dihydrolysergate;Ergoline-8-carboxylic acid, 6-methyl-, methyl ester, (8beta)-;Ergoline-8-carboxylic acid, 6-methyl-, methyl ester, (8.beta.)-;SCHEMBL11852654;35470-53-2

Suppliers and Price of methyl (6aR)-7-methyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinoline-9-carboxylate

Supply Marketing:Edit

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

American Custom Chemicals Corporation
6-METHYL-ERGOLINE-8-CARBOXYLIC ACID METHYL ESTER 95.00%
5MG
$ 501.59

Total 10 raw suppliers

Chemical Property of methyl (6aR)-7-methyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinoline-9-carboxylate Edit

Chemical Property:

Vapor Pressure:0mmHg at 25°C
Melting Point:185 °C
Refractive Index:1.624
Boiling Point:453.797 °C at 760 mmHg
PKA:17.38±0.40(Predicted)
Flash Point:228.249 °C
PSA：45.33000
Density:1.227 g/cm³
LogP:2.23880
XLogP3:2.2
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:2
Exact Mass:284.152477885
Heavy Atom Count:21
Complexity:427

Purity/Quality:

99% ^*data from raw suppliers

6-METHYL-ERGOLINE-8-CARBOXYLIC ACID METHYL ESTER 95.00% ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CN1CC(CC2C1CC3=CNC4=CC=CC2=C34)C(=O)OC
Isomeric SMILES:CN1CC(CC2[C@H]1CC3=CNC4=CC=CC2=C34)C(=O)OC

Technology Process of methyl (6aR)-7-methyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinoline-9-carboxylate

There total 43 articles about methyl (6aR)-7-methyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinoline-9-carboxylate 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: 95.0%

: 67-56-1
methanol

: 5878-43-3
9,10-dihydrolysergic acid

: 3006-19-7,5143-94-2,35470-53-2,77842-02-5,87247-99-2,96648-31-6,96648-32-7
9,10-dihydrolysergic acid methyl ester

Guidance literature:: With sulfuric acid;
DOI:10.1016/j.bmcl.2007.12.030

Reference yield: 75.0%

: 67-56-1
methanol

: 2481-70-1,5878-43-3,6838-23-9,6871-64-3
rac-9,10-dihydrolysergic acid

: 3006-19-7,5143-94-2,35470-53-2,77842-02-5,87247-99-2,96648-31-6,96648-32-7
methyl (6aRS,9RS,10aSR)-7-methyl-4,6,6a,7,8,9,10,10a-octahydroindolo<4,3-fg>quinoline-9-carboxylate

Guidance literature:: With sulfuric acid; at 70 ℃; for 2h;
DOI:10.1016/j.bmcl.2007.12.030

Reference yield: 56.0%

: 67-56-1
methanol

: 6190-39-2
dihydroergotamine mesylate

: 3006-19-7,5143-94-2,35470-53-2,77842-02-5,87247-99-2,96648-31-6,96648-32-7
9,10-dihydrolysergic acid methyl ester

Guidance literature:: dihydroergotamine mesylate; With sodium hydroxide; In methanol; water; for 72h; Inert atmosphere;

methanol; With sulfuric acid; In water; for 48h;
DOI:10.1021/ml3003814