1alphaH,5alphaH-Tropane-3alpha,6beta,7beta-triol, 3-(2-methylcrotonate), (E)-

Base Information

Chemical Name:1alphaH,5alphaH-Tropane-3alpha,6beta,7beta-triol, 3-(2-methylcrotonate), (E)-
CAS No.:526-13-6
Molecular Formula:C13H21NO4
Molecular Weight:255.314
Hs Code.:
UNII:JN0S84O367
DSSTox Substance ID:DTXSID901318120
Nikkaji Number:J10.337C
Wikidata:Q104252980,Q105369178
Wikipedia:Meteloidine
Mol file:526-13-6.mol

Synonyms:Meteloidine;526-13-6;Meteloidin;UNII-JN0S84O367;JN0S84O367;1alphaH,5alphaH-Tropane-3alpha,6beta,7beta-triol, 3-(2-methylcrotonate), (E)-;3-Tigloyloxy-6,7-dihydroxytropane;Teloidine, 3-tiglate;[(1R,5S,6S,7R)-6,7-dihydroxy-8-methyl-8-azabicyclo[3.2.1]octan-3-yl] (E)-2-methylbut-2-enoate;6,7-Dihydroxy-3-tigloyloxytropane;6,7-Dihydroxytropine 3-tiglic acid ester;METELOIDINE [MI];SCHEMBL673312;DTXSID901318120;2-BUTENOIC ACID, 2-METHYL-, (1R,3-ENDO,5S,6S,7R)-6,7-DIHYDROXY-8-METHYL-8-AZABICYCLO(3.2.1)OCT-3-YL ESTER, (2E)-REL-;TIGLIC ACID, 3-ESTER WITH TELOIDINE;NS00094395

Suppliers and Price of 1alphaH,5alphaH-Tropane-3alpha,6beta,7beta-triol, 3-(2-methylcrotonate), (E)-

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
METELOIDINE 95.00%
5MG
$ 500.98

Total 11 raw suppliers

Chemical Property of 1alphaH,5alphaH-Tropane-3alpha,6beta,7beta-triol, 3-(2-methylcrotonate), (E)-

Chemical Property:

Vapor Pressure:1.79E-07mmHg at 25°C
Melting Point:141-142°
Boiling Point:383.9°Cat760mmHg
PKA:13.48±0.60(Predicted)
Flash Point:186°C
PSA：70.00000
Density:1.23g/cm³
LogP:0.00050
XLogP3:0.6
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:3
Exact Mass:255.14705815
Heavy Atom Count:18
Complexity:350

Purity/Quality:

99% ^*data from raw suppliers

METELOIDINE 95.00% ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC=C(C)C(=O)OC1CC2C(C(C(C1)N2C)O)O
Isomeric SMILES:C/C=C(\C)/C(=O)OC1C[C@@H]2[C@H]([C@H]([C@H](C1)N2C)O)O
Description A tropane alkaloid first found by Pyman and Reynolds in Datura rneteloides, the base also occurs in D. ferox and the leaves of Erythroxylurn australe. It crystallizes from C6H6 in tabular needles and is readily soluble in CHC13 or EtOH but only slightly so in Et20, C6H6 or H20. The hydrochloride is obtained as chiselshaped needles of the diliydrate, m.p. 250°C (dry); the aurich10ride hemihydrate also forms needles, m.p. 149-1500 C, the picrate, m.p. 177-1800 C and the reineckate, m.p. 140°C (dec.). Hydrolysis with Ba(OHh furnishes tiglic acid and teloidine, CSH1S0 3N, m.p. 168-9°C. The latter may be characterized as the crystalline hydrochloride, m.p. > 300°C; hydrobromide, m.p. 295°C and the aurichloride, m.p. 225°C. The alkaloid is physiologically inactive.

Technology Process of 1alphaH,5alphaH-Tropane-3alpha,6beta,7beta-triol, 3-(2-methylcrotonate), (E)-

There total 2 articles about 1alphaH,5alphaH-Tropane-3alpha,6beta,7beta-triol, 3-(2-methylcrotonate), (E)- 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: