11-Hydroxycephalotaxine

Base Information

• Chemical Name: 11-Hydroxycephalotaxine
• CAS No.: 49686-55-7
• Molecular Formula: C18H21NO5
• Molecular Weight: 331.36
• NSC Number: 166065,142197
• DSSTox Substance ID: DTXSID30964343
• Nikkaji Number: J145.629F
• Wikidata: Q82946314
• Mol file: 49686-55-7.mol

Synonyms:11-hydroxycephalotaxine

Chemical Property of 11-Hydroxycephalotaxine

Chemical Property:

• Vapor Pressure: 2.15E-12mmHg at 25°C
• Boiling Point: 537.7°C at 760 mmHg
• Flash Point: 279°C
• PSA: 71.39000
• Density: 1.47g/cm³
• LogP: 1.22320
• XLogP3: 0.4
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 1
• Exact Mass: 331.14197277
• Heavy Atom Count: 24
• Complexity: 554

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1=CC23CCCN2CC(C4=CC5=C(C=C4C3C1O)OCO5)O
• Isomeric SMILES: COC1=C[C@]23CCCN2C[C@@H](C4=CC5=C(C=C4[C@@H]3[C@@H]1O)OCO5)O

Technology Process of 11-Hydroxycephalotaxine

There total 38 articles about 11-Hydroxycephalotaxine 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%

C20H21O6N (291537-31-0) → 11R-hydroxycephalotaxine (49686-55-7)

Guidance literature:

With sodium tetrahydroborate; In methanol; dichloromethane; at 0 - 23 ℃;

DOI:10.1021/jo0710883

Reference yield: 88.0%

(3aS*,9β)-(+/-)-9-acetoxycephalotaxin-1-one (130553-02-5) → (+/-)-11-hydroxycephalotaxine (24268-95-9,49686-55-7,125654-59-3)

Guidance literature:

With sodium tetrahydroborate; In methanol; dichloromethane; for 3h; Ambient temperature;

Reference yield: 72.0%

torreyafargesine A → 11R-hydroxycephalotaxine (49686-55-7)

Guidance literature:

With lithium aluminium tetrahydride; In tetrahydrofuran; at 0 - 20 ℃; for 16h; Inert atmosphere;

DOI:10.1002/anie.202101766

upstream raw materials:

(3aS*,9β)-(+/-)-9-acetoxycephalotaxin-1-one

(3aα,4aS*,15bβ,15cα)-(+/-)-10-oxo-3a,6,7,15b,15c-pentahydro-2,2-dimethyl-5H-<1,3>dioxolo<4,5-h>-1,3-dioxolo<4,5>cyclopenta<1,2-a>pyrrolo-<2,1-b><3>benzazepin-9(4H)-one

(1aα,2α,3aS*,9β,14bα)-(+/-)-9-acetoxy-1,2,3,5,6,8,9,14b-octahydro-4H-cyclopenta<1,3>dioxolo<4,5-h>pyrrolo<2,1-b><3>benzazepine-1,2-diol

(3aS*,9β)-(+/-)-9-acetoxy-5,6,8,9-tetrahydro-1-hydroxy-4H-cyclopenta<1,3>dioxolo<4,5-h>pyrrolo<2,1-b><3>benzazepin-2-(3H)-one

Downstream raw materials:

(3aR)-1t,9c-diacetoxy-2-methoxy-(3arC⁴,14bc)-1,5,6,8,9,14b-hexahydro-4H-cyclopenta[b][1,3]dioxolo[4',5':4,5]benzo[1,2-d]pyrrolo[1,2-a]azepine

3-O-Acetyldrupacin

11-hydroxycephalotaxinone hemiketal

(-)-drupacine

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