Aphelandrine

Base Information

Chemical Name:Aphelandrine
CAS No.:69721-57-9
Molecular Formula:C₂₈H₃₆N₄O₄
Molecular Weight:492.618
Hs Code.:
UNII:5FP0U18G3V
Wikidata:Q27262003
Mol file:69721-57-9.mol

Synonyms:aphelandrine

Suppliers and Price of Aphelandrine

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 0 raw suppliers

Chemical Property of Aphelandrine

Chemical Property:

Vapor Pressure:5.06E-23mmHg at 25°C
Boiling Point:746.1°C at 760 mmHg
Flash Point:405°C
PSA：102.93000
Density:1.29g/cm³
LogP:3.67660
XLogP3:1.5
Hydrogen Bond Donor Count:4
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:1
Exact Mass:492.27365564
Heavy Atom Count:36
Complexity:743

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:C1CCN2CCCNC(=O)CC(C3=CC4=C(C=C3)OC(C4C2=O)C5=CC=C(C=C5)O)NCCCNC1
Isomeric SMILES:C1CCN2CCCNC(=O)C[C@@H](C3=CC4=C(C=C3)O[C@@H]([C@H]4C2=O)C5=CC=C(C=C5)O)NCCCNC1

Technology Process of Aphelandrine

There total 10 articles about Aphelandrine 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:

: 312908-82-0
(-)-(8S)-1-[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]-8-(4-hydroxyphenyl)-1,5,9,13-tetraazacycloheptadecan-6-one

: 69721-57-9
(11S,17S,18S)-aphelandrine

Guidance literature:: With soluble protein fraction of barley seedlings; In phosphate buffer; at 25 ℃; for 1h; pH=7.4;
DOI:10.1016/S0040-4039(01)00670-0

Reference yield:

: 312908-82-0
(-)-(8S)-1-[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]-8-(4-hydroxyphenyl)-1,5,9,13-tetraazacycloheptadecan-6-one

: 114622-14-9
chaenorpine

: 69721-57-9
(11S,17S,18S)-aphelandrine

: 71461-13-7
(-)-ephedradine A

Guidance literature:: With hemin; dihydrogen peroxide; potassium carbonate; In water; acetonitrile; at 20 ℃; for 0.166667h;
DOI:10.1002/1522-2675(20010711)84:7<2108::AID-HLCA2108>3.0.CO;2-G

Reference yield:

: 943-89-5
(E)-3-(4-methoxyphenyl)acrylic acid

: 69721-57-9
(11S,17S,18S)-aphelandrine

Guidance literature:: Multi-step reaction with 3 steps

1.1: HCHO

1.2: 2-chloro-N-methylpyridinium iodide

1.3: 75 percent / NH₂OH*HCl

2.1: 98 percent / BBr₃ / CH₂Cl₂

3.1: hemin; K₂CO₃; 10 percent H₂O₂ / acetonitrile; H₂O / 0.17 h / 20 °C

With formaldehyd; hemin; dihydrogen peroxide; boron tribromide; potassium carbonate; In dichloromethane; water; acetonitrile;
DOI:10.1002/1522-2675(20010711)84:7<2108::AID-HLCA2108>3.0.CO;2-G