Rivanicline

Base Information

Chemical Name:Rivanicline
CAS No.:538-79-4
Molecular Formula:C10H14N2
Molecular Weight:162.235
Hs Code.:2933399090
NSC Number:66331
UNII:6H35LF645A
DSSTox Substance ID:DTXSID101017740
Nikkaji Number:J13.674C,J684.665C
Wikipedia:Rivanicline
Wikidata:Q7336984
NCI Thesaurus Code:C66518
Pharos Ligand ID:YK54K2DWSBU5
Metabolomics Workbench ID:149579
ChEMBL ID:CHEMBL132966
Mol file:538-79-4.mol

Synonyms:metanicotine;metanicotine hemigalactarate;metanicotine, (E)-isomer;metanicotine, (R-(R*,R*))-2,3-dihydroxybutanedioate salt;metanicotine, (Z)-isomer;N-methyl-4-(3-pyridinyl)-3-buten-1-amine;N-methyl-4-(3-pyridinyl)-3-butene-1-amine;RJR 2403;RJR-2403;TC 2403;TC 2403-12;TC-2403;TC-2403-12;TC2403;trans-metanicotine

Suppliers and Price of Rivanicline

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
(E)-METANICOTINE 95.00%
50MG
$ 1068.38

American Custom Chemicals Corporation
(E)-METANICOTINE 95.00%
10MG
$ 698.78

Total 17 raw suppliers

Chemical Property of Rivanicline

Chemical Property:

Vapor Pressure:0.0019mmHg at 25°C
Refractive Index:1.554
Boiling Point:291.9°Cat760mmHg
Flash Point:130.3°C
PSA：24.92000
Density:0.98g/cm³
LogP:2.09520
XLogP3:1.1
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:4
Exact Mass:162.115698455
Heavy Atom Count:12
Complexity:132

Purity/Quality:

97% ^*data from raw suppliers

(E)-METANICOTINE 95.00% ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CNCCC=CC1=CN=CC=C1
Isomeric SMILES:CNCC/C=C/C1=CN=CC=C1

Technology Process of Rivanicline

There total 14 articles about Rivanicline 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:

: 2055-27-8,76030-54-1
4-methylamino-1-[3]pyridyl-butan-1-ol

: 538-79-4
methyl-(4-pyridin-3-yl-but-3-enyl)-amine

: 22083-74-5
3-(1-methyl-pyrrolidin-2-yl)-pyridine

Guidance literature:: With phosphorus pentoxide; xylene;
DOI:10.1021/ja01160a082

Reference yield:

: 312728-39-5
(3E)-N-methyl-N-(tert-butoxycarbonyl)-4-(3-pyridinyl)-3-buten-1-amine

: 538-79-4,1129-68-6,15585-43-0
(E)-N-methyl-4-(3-pyridinyl)-3-butene-1-amine

Guidance literature:: With hydrogenchloride; In water; at 0 - 20 ℃; Inert atmosphere;
DOI:10.1002/anie.202005267

Reference yield:

: 3156-52-3
3-(2-nitroethenyl)pyridine

: carbamic acid, N-methyl-N-(3-methyl-3-butenyl), 1,1-dimethylethyl ester

: 538-79-4,1129-68-6,15585-43-0
(E)-N-methyl-4-(3-pyridinyl)-3-butene-1-amine

Guidance literature:: Multi-step reaction with 2 steps

1.1: ozone / methanol / -78 °C

1.2: 0 °C / Inert atmosphere

2.1: hydrogenchloride / water / 0 - 20 °C / Inert atmosphere

With hydrogenchloride; ozone; In methanol; water;
DOI:10.1002/anie.202005267