Cynometrine

Base Information

Chemical Name:Cynometrine
CAS No.:50656-83-2
Molecular Formula:C₁₆H₁₉N₃O₂
Molecular Weight:285.346
Hs Code.:
DSSTox Substance ID:DTXSID00964895
Nikkaji Number:J732.502I
Wikidata:Q27106292
Mol file:50656-83-2.mol

Synonyms:Cynometrine;50656-83-2;C10587;(3R,4S)-3-[(S)-hydroxy(phenyl)methyl]-1-methyl-4-(1-methylimidazol-4-yl)pyrrolidin-2-one;CHEBI:4039;DTXSID00964895;Q27106292;3-[Hydroxy(phenyl)methyl]-1-methyl-4-(1-methyl-1H-imidazol-4-yl)pyrrolidin-2-one;1-Methyl-3beta-[(S)-alpha-hydroxybenzyl]-4alpha-(1-methyl-1H-imidazol-4-yl)pyrrolidin-2-one

Suppliers and Price of Cynometrine

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 0 raw suppliers

Chemical Property of Cynometrine

Chemical Property:

Vapor Pressure:2E-13mmHg at 25°C
Boiling Point:561.1°C at 760 mmHg
Flash Point:293.1°C
PSA：58.36000
Density:1.27g/cm³
LogP:1.26340
XLogP3:0.7
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:3
Exact Mass:285.147726857
Heavy Atom Count:21
Complexity:384

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CN1CC(C(C1=O)C(C2=CC=CC=C2)O)C3=CN(C=N3)C
Isomeric SMILES:CN1C[C@H]([C@@H](C1=O)[C@@H](C2=CC=CC=C2)O)C3=CN(C=N3)C

Technology Process of Cynometrine

There total 10 articles about Cynometrine 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:

: (methyl-1 imidazolyl-4)-3 nitro-4 butanoate de methyle

: 50656-83-2
dl-cynometrine

Guidance literature:: Multi-step reaction with 4 steps

1: H₂ / Pd/C (5percent) / acetic acid

2: 1.) KOH / 1.) DMSO, warmed, 5 min.; 2.) DMSO, 20 min.

3: 1.) Et₂NLi / 1.) THF, 0 deg C, 1 h; 2.) -15 deg C then to room temp

4: NaBH₄ / methanol

With potassium hydroxide; sodium tetrahydroborate; lithium diethylamide; hydrogen; palladium on activated charcoal; In methanol; acetic acid;
DOI:10.1016/0040-4020(82)80023-9

Reference yield:

: 163210-72-8
(methyl-imidazolyl-4)-3 propene-2 oate de methyle

: 50656-83-2
dl-cynometrine

Guidance literature:: Multi-step reaction with 5 steps

1: TMG / 3 h / 120 °C

2: H₂ / Pd/C (5percent) / acetic acid

3: 1.) KOH / 1.) DMSO, warmed, 5 min.; 2.) DMSO, 20 min.

4: 1.) Et₂NLi / 1.) THF, 0 deg C, 1 h; 2.) -15 deg C then to room temp

5: NaBH₄ / methanol

With potassium hydroxide; sodium tetrahydroborate; lithium diethylamide; hydrogen; N,N,N',N'-tetramethylguanidine; palladium on activated charcoal; In methanol; acetic acid;
DOI:10.1016/0040-4020(82)80023-9