Ajmalan-17-ol, 19,20-didehydro-, (17R,19E)-

Base Information

• Chemical Name: Ajmalan-17-ol, 19,20-didehydro-, (17R,19E)-
• CAS No.: 509-38-6
• Molecular Formula: C20H24N2O
• Molecular Weight: 308.4174
• European Community (EC) Number: 808-275-6
• DSSTox Substance ID: DTXSID501319071
• Mol file: 509-38-6.mol

Synonyms:TETRAPHYLLICINE;Ajmalan-17-ol, 19,20-didehydro-, (17R,19E)-;NSC 72114;509-38-6;Ajmalan-17-ol, 19,20-didehydro-, (17R,19E)- (9CI);DTXSID501319071

Chemical Property of Ajmalan-17-ol, 19,20-didehydro-, (17R,19E)-

Chemical Property:

• Vapor Pressure: 2.84E-10mmHg at 25°C
• Boiling Point: 486.4°Cat760mmHg
• Flash Point: 260.9°C
• Density: 1.32g/cm³
• XLogP3: 1.5
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 308.188863393
• Heavy Atom Count: 23
• Complexity: 588

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC=C1CN2C3CC1C4C2CC5(C3N(C6=CC=CC=C65)C)C4O
• Isomeric SMILES: C/C=C\1/CN2[C@H]3C[C@@H]1[C@H]4[C@@H]2C[C@@]5([C@H]3N(C6=CC=CC=C65)C)[C@@H]4O

Technology Process of Ajmalan-17-ol, 19,20-didehydro-, (17R,19E)-

There total 34 articles about Ajmalan-17-ol, 19,20-didehydro-, (17R,19E)- 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%

(2R,6S,8R,13aR)-3-Eth-(Z)-ylidene-8-(2-methoxy-ethoxymethoxy)-13-methyl-1,3,4,7,8,13,13a,13b-octahydro-2H,6H-2,7-cyclo-6,8a-methano-pyrido[1',2':1,2]azepino[3,4-b]indole (124016-71-3,137032-26-9) → (2R,6S,8R,13aR)-3-Eth-(Z)-ylidene-13-methyl-1,3,4,7,8,13,13a,13b-octahydro-2H,6H-2,7-cyclo-6,8a-methano-pyrido[1',2':1,2]azepino[3,4-b]indol-8-ol (509-38-6,6883-73-4,124016-72-4)

Guidance literature:

With hydrogenchloride; In methanol; for 5h; Heating;

Reference yield: 77.0%

(2R,6S,8R,13aR)-3-Eth-(E)-ylidene-8-(2-methoxy-ethoxymethoxy)-13-methyl-1,3,4,7,8,13,13a,13b-octahydro-2H,6H-2,7-cyclo-6,8a-methano-pyrido[1',2':1,2]azepino[3,4-b]indole (124016-71-3,137032-26-9) → Tetraphyllicine (509-38-6,6883-73-4,124016-72-4)

Guidance literature:

With hydrogenchloride; In methanol; for 5h; Heating;

Reference yield:

(2R,5R,6S,7S,8R,8aR,13aR,13bS)-3-Eth-(E)-ylidene-8-(2-methoxy-ethoxymethoxy)-13-methyl-1,3,4,7,8,13,13a,13b-octahydro-2H,6H-2,7-cyclo-6,8a-methano-pyrido[1',2':1,2]azepino[3,4-b]indole (137032-26-9) → tetraphyllicine (509-38-6)

Guidance literature:

With hydrogenchloride; In methanol; for 5h; Heating;

upstream raw materials:

(2R,5R,6S,7S,8R,8aR,13aR,13bS)-3-Eth-(E)-ylidene-8-(2-methoxy-ethoxymethoxy)-13-methyl-1,3,4,7,8,13,13a,13b-octahydro-2H,6H-2,7-cyclo-6,8a-methano-pyrido[1',2':1,2]azepino[3,4-b]indole

C₂₂H₃₂N₄O

C₂₂H₂₈N₂O₄

C₂₄H₃₄N₄O₃

Downstream raw materials:

(19Z)-taberpsychine

(2R,6S,13S)-3-Eth-(Z)-ylidene-1,3,4,7,12,12b-hexahydro-2H,6H-2,6-methano-indolo[2,3-a]quinolizine-13-carbaldehyde

16-epi-Koumidine

Koumidine

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