Rhombifoline

Base Information

Chemical Name:Rhombifoline
CAS No.:529-78-2
Molecular Formula:C₁₅H₂₀N₂O
Molecular Weight:244.337
Hs Code.:
DSSTox Substance ID:DTXSID501118132
Nikkaji Number:J102.936C
Wikidata:Q105384597
Metabolomics Workbench ID:123435
ChEMBL ID:CHEMBL1397610
Mol file:529-78-2.mol

Synonyms:rhombifoline

Suppliers and Price of Rhombifoline

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

ChemScene
Rhombifoline
1mg
$ 200.00

Arctom
Rhombifoline ≥98%
10mg
$ 368.00

Total 12 raw suppliers

Chemical Property of Rhombifoline

Chemical Property:

Vapor Pressure:6.64E-08mmHg at 25°C
Boiling Point:438.9°Cat760mmHg
PKA:9.45±0.20(Predicted)
Flash Point:202.3°C
PSA：25.24000
Density:1.14g/cm³
LogP:1.78140
XLogP3:1.8
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:3
Exact Mass:244.157563266
Heavy Atom Count:18
Complexity:424

Purity/Quality:

98%min ^*data from raw suppliers

Rhombifoline ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:C=CCCN1CC2CC(C1)C3=CC=CC(=O)N3C2
Isomeric SMILES:C=CCCN1C[C@@H]2C[C@H](C1)C3=CC=CC(=O)N3C2
Description A minor alkaloid obtained from Thermopsis rhombifolia (Watt), Richards, the base was originally given the empirical formula ClsH2002N2, but subsequently changed to that given. It is strongly laevorotatory with [α]25D - 232.4° (c 2.13, EtOH) and yields crystalline salts including the hydrochloride, m.p. 256-8°C (dec.) which sublimes at l20°CjO.000l mm; the perchlorate, m.p. 243-5°C (dec.); platinichloride, m.p. 268° C and the picrate, m.p. 226°C (dec.).

Technology Process of Rhombifoline

There total 5 articles about Rhombifoline 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: 51.0%

: 50-00-0,30525-89-4,61233-19-0
formaldehyd

: 106-95-6
allyl bromide

: 485-35-8
cytisine

: 529-78-2
(-)-rhombifoline

Guidance literature:: With copper(l) iodide; acetic acid; zinc; In water; at 20 ℃; for 22h;
DOI:10.1002/anie.201712852

Reference yield:

: (1R,5R)-6-methyl-3,7-diazabicyclo[3.3.1]non-6-en-2-one

: 529-78-2
(-)-rhombifoline

Guidance literature:: Multi-step reaction with 4 steps

1.1: triethylamine; dmap / dichloromethane / 20 h

2.1: triethylamine / tetrahydrofuran / 5 h / 20 °C

3.1: methanol; sodium tetrahydroborate / 2 h / 0 - 20 °C

3.2: 15 h / -78 - 20 °C

4.1: acetic acid; zinc; copper(l) iodide / water / 22 h / 20 °C

With methanol; dmap; sodium tetrahydroborate; copper(l) iodide; acetic acid; triethylamine; zinc; In tetrahydrofuran; dichloromethane; water;
DOI:10.1002/anie.201712852

Reference yield:

: (1R,5R)-3-tert-butoxycarbonyl-6-methyl-3,7-diazabicyclo[3.3.1]non-6-en-2-one

: 529-78-2
(-)-rhombifoline

Guidance literature:: Multi-step reaction with 3 steps

1.1: triethylamine / tetrahydrofuran / 5 h / 20 °C

2.1: methanol; sodium tetrahydroborate / 2 h / 0 - 20 °C

2.2: 15 h / -78 - 20 °C

3.1: acetic acid; zinc; copper(l) iodide / water / 22 h / 20 °C

With methanol; sodium tetrahydroborate; copper(l) iodide; acetic acid; triethylamine; zinc; In tetrahydrofuran; water;
DOI:10.1002/anie.201712852