Tylocrebrine

Base Information

Chemical Name:Tylocrebrine
CAS No.:6879-02-3
Molecular Formula:C₂₄H₂₇NO₄
Molecular Weight:393.483
Hs Code.:
NSC Number:60387
UNII:3807I5NR9S
DSSTox Substance ID:DTXSID901018647
Nikkaji Number:J9.641E
Wikidata:Q27256714
ChEMBL ID:CHEMBL487200
Mol file:6879-02-3.mol

Synonyms:tylocrebrine;tylocrebrine, (S)-isomer

Suppliers and Price of Tylocrebrine

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

American Custom Chemicals Corporation
TYLOCREBRINE 95.00%
5MG
$ 501.92

Total 1 raw suppliers

Chemical Property of Tylocrebrine

Chemical Property:

Vapor Pressure:1.44E-12mmHg at 25°C
Boiling Point:559.9°C at 760 mmHg
Flash Point:160.5°C
PSA：40.16000
Density:1.26g/cm³
LogP:4.48580
XLogP3:4.7
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:4
Exact Mass:393.19400834
Heavy Atom Count:29
Complexity:573

Purity/Quality:: TYLOCREBRINE 95.00% ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:COC1=C(C2=C(C=C1)C3=C(CC4CCCN4C3)C5=CC(=C(C=C52)OC)OC)OC
Isomeric SMILES:COC1=C(C2=C(C=C1)C3=C(C[C@H]4CCCN4C3)C5=CC(=C(C=C52)OC)OC)OC

Technology Process of Tylocrebrine

There total 4 articles about Tylocrebrine 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: 62.0%

: 1260216-15-6
(R)-7-(2',3',4,5-tetramethoxy-[1,1'-biphenyl]-2-yl)-1,2,3,5,8,8a-hexahydroindolizine

: 6879-02-3,61302-92-9,1385-43-9
(+)-tylocrebrine

Guidance literature:: With vanadium(V) oxytrifluoride; trifluoroacetic acid; trifluoroacetic anhydride; In dichloromethane; ethyl acetate; at -78 - -10 ℃;
DOI:10.1021/ol1023954

Reference yield:

: 1260216-09-8
2'-bromo-2,3,4',5'-tetramethoxy-1,1'-biphenyl

: 6879-02-3,61302-92-9,1385-43-9
(+)-tylocrebrine

Guidance literature:: Multi-step reaction with 2 steps

1.1: tert.-butyl lithium / tetrahydrofuran / 2 h / -78 °C

1.2: 0.17 h / -78 °C

1.3: 1 h / 20 - 25 °C

2.1: vanadium(V) oxytrifluoride; trifluoroacetic acid; trifluoroacetic anhydride / dichloromethane; ethyl acetate / -78 - -10 °C

With vanadium(V) oxytrifluoride; tert.-butyl lithium; trifluoroacetic acid; trifluoroacetic anhydride; In tetrahydrofuran; dichloromethane; ethyl acetate; 1.1: Negishi coupling reaction / 1.2: Negishi coupling reaction / 1.3: Negishi coupling reaction;
DOI:10.1021/ol1023954

Reference yield:

: 89978-46-1
4-bromo-5-iodoveratrole

: 6879-02-3,61302-92-9,1385-43-9
(+)-tylocrebrine

Guidance literature:: Multi-step reaction with 3 steps

1.1: (1,1'-bis(diphenylphosphino)ferrocene)palladium(II) dichloride; sodium carbonate; lithium chloride / 1,2-dimethoxyethane; water / 16 h / 80 °C / Inert atmosphere

2.1: tert.-butyl lithium / tetrahydrofuran / 2 h / -78 °C

2.2: 0.17 h / -78 °C

2.3: 1 h / 20 - 25 °C

3.1: vanadium(V) oxytrifluoride; trifluoroacetic acid; trifluoroacetic anhydride / dichloromethane; ethyl acetate / -78 - -10 °C

With (1,1'-bis(diphenylphosphino)ferrocene)palladium(II) dichloride; vanadium(V) oxytrifluoride; tert.-butyl lithium; sodium carbonate; trifluoroacetic acid; trifluoroacetic anhydride; lithium chloride; In tetrahydrofuran; 1,2-dimethoxyethane; dichloromethane; water; ethyl acetate; 1.1: Suzuki-Miyaura coupling / 2.1: Negishi coupling reaction / 2.2: Negishi coupling reaction / 2.3: Negishi coupling reaction;
DOI:10.1021/ol1023954