Thalmidine

Base Information

Chemical Name:Thalmidine
CAS No.:5096-71-9
Deprecated CAS:1361-58-6,25161-55-1
Molecular Formula:C₃₈H₄₂N₂O₆
Molecular Weight:622.761
Hs Code.:
DSSTox Substance ID:DTXSID901315245
Nikkaji Number:J130.148I
Wikidata:Q27105208
Metabolomics Workbench ID:68052
Mol file:5096-71-9.mol

Synonyms:Thalmidine;O-Methylthalicberine;Thalicberine, O-methyl-;(+)-O-Methylthalicberine;NSC 269189;5096-71-9;6,7,7',12-Tetramethoxy-2,2'-dimethylthalicberan;Thalicberan, 6,7,7',12-tetramethoxy-2,2'-dimethyl-;CHEBI:38;O(C)c1c(OC)cc2CCN(C)C3Cc4ccc(OC)c(Oc5ccc(cc5)CC6N(C)CCc7cc(Oc1c23)c(OC)cc67)c4;DTXSID901315245;LS-149267;C09590;Q27105208;Thalicberan, 6,7,7',12-tetramethoxy-2,2'-dimethyl- (9CI)

Suppliers and Price of Thalmidine

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 1 raw suppliers

Chemical Property of Thalmidine

Chemical Property:

Vapor Pressure:4.88E-20mmHg at 25°C
Melting Point:186-187 °C
Boiling Point:710.5°Cat760mmHg
PKA:7.66±0.20(Predicted)
Flash Point:175.8°C
PSA：61.86000
Density:1.172g/cm³
LogP:7.03820
XLogP3:6.7
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:8
Rotatable Bond Count:4
Exact Mass:622.30428706
Heavy Atom Count:46
Complexity:979

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:

Useful:

Canonical SMILES:CN1CCC2=CC3=C(C=C2C1CC4=CC=C(C=C4)OC5=C(C=CC(=C5)CC6C7=C(O3)C(=C(C=C7CCN6C)OC)OC)OC)OC
Isomeric SMILES:CN1CCC2=CC3=C(C=C2[C@@H]1CC4=CC=C(C=C4)OC5=C(C=CC(=C5)C[C@H]6C7=C(O3)C(=C(C=C7CCN6C)OC)OC)OC)OC
Description An alkaloid found in Thalictrum minus, this base forms colourless crystals from EtOH following separation from the accompanying bases by column chromato graphy. It has [α]D + 252.2° (CHCI 3) and is characterized as the methiodide which decomposes at 254-5°C.

Technology Process of Thalmidine

There total 7 articles about Thalmidine 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:

: 5979-99-7
6,7,12,7'-tetramethoxy-2-methyl-thalicber-1'-ene

: 5096-71-9,25161-55-1
(+)-O-methylthalicberine

Guidance literature:: Multi-step reaction with 2 steps

1: NaBH₄

2: (methylation)

With sodium tetrahydroborate;

Reference yield:

: 186581-53-3,908094-01-9,334-88-3
diazomethane

: 93780-79-1
(+)-thaliphylline

: 5096-71-9,25161-55-1
(+)-O-methylthalicberine

Guidance literature:: In methanol; at 0 ℃; for 24h;
DOI:10.1016/S0040-4020(01)88437-4

Reference yield:

: 36455-03-5
(S)-5⁶,7^{6,7_{,9⁶-tetramethoxy-7²-methyl-7}1,2,3,4}-tetrahydro-4,8-dioxa-12-aza-3(1,4),5,9(1,3)-tribenzena-7(1,8)-isoquinolina-tridecaphanedioic acid 13-tert-butyl ester 1-methyl ester

: 5096-71-9,25161-55-1
(+)-O-methylthalicberine

Guidance literature:: Multi-step reaction with 4 steps

1: (i) aq. NaOH, MeOH, (ii) 4-nitro-phenol, DCC, AcOEt, Et₂O, (iii) CF₃CO₂H, (iv) Py, DMF

2: POCl₃ / CHCl₃

3: NaBH₄ / methanol

4: (i) MeOH, (ii) NaBH₄

With sodium tetrahydroborate; trichlorophosphate; In methanol; chloroform;