Calligonine

Base Information

Chemical Name:Calligonine
CAS No.:2254-36-6
Molecular Formula:C₁₂H₁₄N₂
Molecular Weight:186.257
Hs Code.:
DSSTox Substance ID:DTXSID20966937
Nikkaji Number:J749.064J
Wikidata:Q7706553
Metabolomics Workbench ID:69093
Mol file:2254-36-6.mol

Synonyms:Calligonine;Elaeagnine;(1R)-1-methyl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole;2254-36-6;C09089;(1~{R})-1-methyl-2,3,4,9-tetrahydro-1~{H}-pyrido[3,4-b]indole;AC1L9C4Q;ZINC19735187;(+)-Tetrahydroharman;(R)-(+)-Tetrahydroharman;CHEBI:3323;DTXSID20966937;(r)(+)-1-methyl-1,2,3,4-tetrahydro-beta-carboline;QGH

Suppliers and Price of Calligonine

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

AccelPharmtech
(1R)-2,3,4,9-tetrahydro-1-methyl-1H-Pyrido[3,4-b]indole 97.00%
5G
$ 8630.00

AccelPharmtech
(1R)-2,3,4,9-tetrahydro-1-methyl-1H-Pyrido[3,4-b]indole 97.00%
1G
$ 4980.00

Total 4 raw suppliers

Chemical Property of Calligonine

Chemical Property:

Vapor Pressure:1.91E-05mmHg at 25°C
Boiling Point:362.6°C at 760 mmHg
Flash Point:173.1°C
Density:1.13g/cm³
XLogP3:1.9
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:1
Rotatable Bond Count:0
Exact Mass:186.115698455
Heavy Atom Count:14
Complexity:216

Purity/Quality:

99% ^*data from raw suppliers

(1R)-2,3,4,9-tetrahydro-1-methyl-1H-Pyrido[3,4-b]indole 97.00% ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:

Useful:

Canonical SMILES:CC1C2=C(CCN1)C3=CC=CC=C3N2
Isomeric SMILES:C[C@@H]1C2=C(CCN1)C3=CC=CC=C3N2

Technology Process of Calligonine

There total 27 articles about Calligonine 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: 95.0%

: 525-41-7
1-methyl-4,9-dihydro-3H-β-carboline

: 525-40-6,2506-10-7,23844-21-5,2254-36-6
(R)-1-methyl-1,2,3,4-tetrahydro-9H-pyrido[3,4-b]indole

Guidance literature:: With formic acid; (S,S)-TsDPEN-Ru(II); triethylamine; In N,N-dimethyl-formamide; at 20 ℃; for 12h; optical yield given as %ee; enantioselective reaction;
DOI:10.1021/ol9011772

Reference yield: 93.0%

: 2506-10-7
eleagnine

: 525-40-6,2506-10-7,23844-21-5,2254-36-6
(R)-1-methyl-1,2,3,4-tetrahydro-9H-pyrido[3,4-b]indole

Guidance literature:: With hydrogenchloride; borane-ammonia complex; In aq. phosphate buffer; N,N-dimethyl-formamide; at 37 ℃; for 24h; pH=7.8;
DOI:10.1021/ja4051235

Reference yield: 85.0%

: C₁₆H₁₈N₂O₂

: 525-40-6,2506-10-7,23844-21-5,2254-36-6
(R)-1-methyl-1,2,3,4-tetrahydro-9H-pyrido[3,4-b]indole

Guidance literature:: With tris(dibenzylideneacetone)dipalladium⁽⁰⁾ chloroform complex; formic acid; triphenylphosphine; In tetrahydrofuran; at 40 ℃; for 2h; Reagent/catalyst;
DOI:10.1016/j.tetasy.2017.10.019