(3Beta)-1,6-didehydro-3,15-dimethoxy-erythrinan

Base Information

Chemical Name:(3Beta)-1,6-didehydro-3,15-dimethoxy-erythrinan
CAS No.:27675-40-7
Molecular Formula:C₁₈H₂₃NO₂
Molecular Weight:285.386
Hs Code.:
DSSTox Substance ID:DTXSID00950334
Wikidata:Q82928341
Mol file:27675-40-7.mol

Synonyms:DTXSID00950334;(3Beta)-1,6-didehydro-3,15-dimethoxy-erythrinan;J-501177;2,11-Dimethoxy-1,2,4,5,7,8,12b,12c-octahydroindolo[7,1-ab][3]benzazepine

Suppliers and Price of (3Beta)-1,6-didehydro-3,15-dimethoxy-erythrinan

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
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price

Total 1 raw suppliers

Chemical Property of (3Beta)-1,6-didehydro-3,15-dimethoxy-erythrinan

Chemical Property:

Boiling Point:421.6±45.0 °C(Predicted)
PKA:7.74±0.40(Predicted)
PSA：21.70000
Density:1.17±0.1 g/cm3(Predicted)
LogP:2.82540
XLogP3:2.1
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:2
Exact Mass:285.172878976
Heavy Atom Count:21
Complexity:421

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:COC1CC2C3C(=C1)CCN3CCC4=C2C=C(C=C4)OC
Description The crystal structure 01 this alkaloid has also been recently established by X-ray crystallography.

Technology Process of (3Beta)-1,6-didehydro-3,15-dimethoxy-erythrinan

There total 23 articles about (3Beta)-1,6-didehydro-3,15-dimethoxy-erythrinan 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: 84.0%

: rac-(R)-9-methoxy-10b-((S)-2-methoxypent-4-en-1-yl)-2,3,5,6-tetrahydropyrrolo[2,1-a]isoquinolin-1(10bH)-one

: 27675-40-7
cocculidine

Guidance literature:: With {(2-methyl-2-phenyl-propylidene)((2,6-diisopropylphenyl)imido)molybdenum(VI)bis(trifluoro-tert-butoxide)}; In benzene; at 30 ℃; for 15h; Inert atmosphere;
DOI:10.1002/anie.201304687

Reference yield: 62.0%

: C₁₉H₂₈BrNO₃

: 27675-40-7
cocculidine

Guidance literature:: With boron trifluoride diethyl etherate; at 0 - 25 ℃; Inert atmosphere;
DOI:10.1021/acs.joc.1c00707

Reference yield:

: 66800-24-6
ethyl 4-methoxycyclohexanone-2-glyoxylate

: 27675-40-7,78463-74-8
(+/-)-cocculidine

Guidance literature:: Multi-step reaction with 13 steps

1: 2.) 85percent H₃PO₄ / 1.) benzene, reflux, 10 h; 2.) MeOH, reflux, 20 h

2: 19.84 g / NaBH₄ / methanol; H₂O / Ambient temperature

3: 10.23 g / concd. H₂SO₄ / 3 h / 40 - 50 °C

4: 54.6 percent / 20percent HCl / 20 h / Heating

5: 1.) NaNO₂, 10percent HCl; 2.) hypophosphorous acid / 1.) H₂O, 5-0 deg C; 2.) H₂O, 0 deg C, 24 h

6: 80 percent / p-toluenesulfonic acid / 1.5 h / Heating

7: 157 mg / m-chloroperbenzoic acid / CHCl₃ / 48 h / Ambient temperature

8: 1.) NaBH₄, diphenyldiselenide; 2.) 30percent H₂O₂ / 1.) EtOH, reflux, 2 h; 2.) EtOH, THF, 2 h

9: 96.4 mg / 6N HCl / 20 h / Heating

10: 130.7 mg / LiAlH₄ / diethyl ether / 6 h / Heating

11: 31.5 mg / pyridine / 48 h

12: 10.9 mg / KOH / 2-methoxy-ethanol / 1.17 h / Heating

13: 7.8 mg / H₂ / 5percent palladium-carbon / methanol

With pyridine; hydrogenchloride; potassium hydroxide; sodium tetrahydroborate; lithium aluminium tetrahydride; phosphoric acid; sulfuric acid; diphenyl diselenide; hydrogen; dihydrogen peroxide; hypophosphorous acid; toluene-4-sulfonic acid; 3-chloro-benzenecarboperoxoic acid; sodium nitrite; palladium on activated charcoal; In methanol; diethyl ether; chloroform; 2-methoxy-ethanol; water;
DOI:10.1248/cpb.29.396