3-Dihydrocadambine

Base Information

Chemical Name:3-Dihydrocadambine
CAS No.:54483-84-0
Molecular Formula:C27H34N2O10
Molecular Weight:546.57
Hs Code.:
DSSTox Substance ID:DTXSID60969664
Nikkaji Number:J716.640K
Wikidata:Q82952687
ChEMBL ID:CHEMBL4467154
Mol file:54483-84-0.mol

Synonyms:3-dihydro-cadambine;3-dihydrocadambine;3alpha-dihydrocadambine

Suppliers and Price of 3-Dihydrocadambine

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 5 raw suppliers

Chemical Property of 3-Dihydrocadambine

Chemical Property:

PSA：174.17000
LogP:-0.76830
XLogP3:-0.4
Hydrogen Bond Donor Count:6
Hydrogen Bond Acceptor Count:11
Rotatable Bond Count:5
Exact Mass:546.22134529
Heavy Atom Count:39
Complexity:936

Purity/Quality:: 98% ^*data from raw suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:

Useful:

Canonical SMILES:COC(=O)C1=COC(C2C1CC3C4=C(CCN3CC2O)C5=CC=CC=C5N4)OC6C(C(C(C(O6)CO)O)O)O
Isomeric SMILES:COC(=O)C1=CO[C@H]([C@H]2[C@@H]1C[C@H]3C4=C(CCN3C[C@H]2O)C5=CC=CC=C5N4)O[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)CO)O)O)O

Technology Process of 3-Dihydrocadambine

There total 9 articles about 3-Dihydrocadambine 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: 87.0%

: C₃₅H₄₂N₂O₁₄

: 54483-84-0,61989-80-8
3α-dihydrocadambine

Guidance literature:: With potassium carbonate; In methanol; at 0 ℃; for 0.5h;
DOI:10.1002/anie.202005748

Reference yield:

: 82958-41-6,82978-48-1
(1R,4aR,8S,8aR)-8-Hydroxymethyl-6-methoxy-1-((2S,3R,4S,5R,6R)-3,4,5-triacetoxy-6-acetoxymethyl-tetrahydro-pyran-2-yloxy)-5,6,8,8a-tetrahydro-1H,4aH-pyrano[3,4-c]pyran-4-carboxylic acid methyl ester

: 54483-84-0,61989-80-8
3α-dihydro-cadambine

Guidance literature:: Multi-step reaction with 3 steps

1: PCC/Celite / sodium acetate / CH₂Cl₂

2: 56 percent / sodium cyanoborohydride

3: 1.) formic acid; 2.) K₂CO₃ / 1.) 95 deg C; 18 h; 2.) methanol

With formic acid; Celite; sodium cyanoborohydride; potassium carbonate; pyridinium chlorochromate; sodium acetate; In dichloromethane;
DOI:10.1016/S0040-4039(00)87341-4

Reference yield:

: 77988-08-0
(4S,5S,6S)-5-((S)-1,2-Dihydroxy-ethyl)-4-(2,2-dimethoxy-ethyl)-6-((2R,3S,4R,5S,6S)-3,4,5-triacetoxy-6-acetoxymethyl-tetrahydro-pyran-2-yloxy)-5,6-dihydro-4H-pyran-3-carboxylic acid methyl ester

: 54483-84-0,61989-80-8
3α-dihydro-cadambine

Guidance literature:: Multi-step reaction with 4 steps

1: Amberlite IR 120 resin / methanol

2: PCC/Celite / sodium acetate / CH₂Cl₂

3: 56 percent / sodium cyanoborohydride

4: 1.) formic acid; 2.) K₂CO₃ / 1.) 95 deg C; 18 h; 2.) methanol

With formic acid; Amberlite IR 120 resin; Celite; sodium cyanoborohydride; potassium carbonate; pyridinium chlorochromate; sodium acetate; In methanol; dichloromethane;
DOI:10.1016/S0040-4039(00)87341-4