3-Isoantirhine

Base Information

Chemical Name:3-Isoantirhine
CAS No.:34384-65-1
Deprecated CAS:109755-55-7
Molecular Formula:C19H24N2O
Molecular Weight:296.4067
Hs Code.:
DSSTox Substance ID:DTXSID90187955
Wikidata:Q83059710

Synonyms:3-Isoantirhine;3-epi-Antirhine;34384-65-1;DTXSID90187955;Indolo(2,3-a)quinolizine-2-ethanol, beta-ethenyl-1,2,3,4,6,7,12,12b-octahydro-, (betaR,2S,12bR)-

Suppliers and Price of 3-Isoantirhine

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
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price

Total 0 raw suppliers

Chemical Property of 3-Isoantirhine

Chemical Property:

Vapor Pressure:2.4E-10mmHg at 25°C
Boiling Point:488.2°Cat760mmHg
Flash Point:249.1°C
Density:1.2g/cm³
XLogP3:2.9
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:3
Exact Mass:296.188863393
Heavy Atom Count:22
Complexity:412

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:C=CC(CO)C1CCN2CCC3=C(C2C1)NC4=CC=CC=C34
Isomeric SMILES:C=C[C@@H](CO)[C@H]1CCN2CCC3=C([C@H]2C1)NC4=CC=CC=C34

Technology Process of 3-Isoantirhine

There total 42 articles about 3-Isoantirhine 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: 71.7%

: 74447-18-0,137171-66-5
(R)-4-(2-Nitro-phenylselanyl)-2-(2S,12bS)-1,2,3,4,6,7,12,12b-octahydro-indolo[2,3-a]quinolizin-2-yl-butan-1-ol

: 16049-28-8,34384-65-1,74497-05-5
(+/-)-antirhine

Guidance literature:: With 3-chloro-benzenecarboperoxoic acid; In dichloromethane; -20 deg C -> room temperature;
DOI:10.1021/ja00532a061

Reference yield:

: 2-(1-methoxybut-3-en-2-yl)-1,2,3,4,6,7,12,12b-octahydroindolo[2,3-a]quinolizine

: 16049-28-8,34384-65-1,74497-05-5
(+/-)-antirhine

Guidance literature:: With 15-crown-5; boron tribromide; sodium iodide; In dichloromethane; at -30 ℃; for 0.5h; Inert atmosphere;
DOI:10.1021/acs.orglett.0c00544

Reference yield:

: 61-54-1
tryptamine

: 16049-28-8,34384-65-1,74497-05-5
(+/-)-antirhine

Guidance literature:: Multi-step reaction with 5 steps

1: 1.) ethyl chloroformate, triethylamine / 1.) CH₂Cl₂, room temperature, 4 h, 2.) room temperature

2: 36.8 percent / methyl iodide / acetonitrile; H₂O / 48 h / Ambient temperature

3: 92.5 percent / LiAlH₄ / tetrahydrofuran / 3.5 h / Heating

4: 39.2 percent / tri-n-butylphosphine / tetrahydrofuran / 2 h / Ambient temperature

5: 71.7 percent / m-chloroperbenzoic acid / CH₂Cl₂ / -20 deg C -> room temperature

With lithium aluminium tetrahydride; tributylphosphine; chloroformic acid ethyl ester; triethylamine; 3-chloro-benzenecarboperoxoic acid; methyl iodide; In tetrahydrofuran; dichloromethane; water; acetonitrile;
DOI:10.1021/ja00532a061