Pharmakon1600-01504027

Base Information

• Chemical Name: Pharmakon1600-01504027
• CAS No.: 485-35-8
• Molecular Formula: C11H14N2O
• Molecular Weight: 190.245
• Hs Code.: 29399990
• NSC Number: 758665
• Wikidata: Q27166989
• Mol file: 485-35-8.mol

Synonyms:Spectrum_001465;SpecPlus_000618;Spectrum2_000470;Spectrum3_001611;Spectrum4_001834;Spectrum5_000627;BSPBio_003241;KBioGR_002534;KBioSS_001945;DivK1c_006714;SPECTRUM1504027;SPBio_000580;SCHEMBL8309064;CHEBI:95183;KBio1_001658;KBio2_001945;KBio2_004513;KBio2_007081;KBio3_002461;HMS1922B03;Pharmakon1600-01504027;LSM-6464;CCG-39978;NSC758665;NSC-758665;SDCCGMLS-0066826.P001;NCGC00178191-01;VU0243453-3;BRD-A55579717-001-02-4;BRD-A55579717-001-03-2;Q27166989

Chemical Property of Pharmakon1600-01504027

Chemical Property:

• Appearance/Colour: Off-white to tan crystalline solid
• Vapor Pressure: 4.95E-07mmHg at 25°C
• Melting Point: 154-156 °C(lit.)
• Refractive Index: 1.5700 (estimate)
• Boiling Point: 413 °C at 760 mmHg
• PKA: 6.11, 13.08(at 25℃)
• Flash Point: 203.6 °C
• PSA: 34.03000
• Density: 1.24 g/cm³
• LogP: 0.88380
• Storage Temp.: Store at RT
• Solubility.: 439g/l
• Water Solubility.: 439g/L(16 oC)
• XLogP3: 0.2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 190.110613074
• Heavy Atom Count: 14
• Complexity: 332

Purity/Quality:

99% ^*data from raw suppliers

Cytisine ^*data from reagent suppliers

Safty Information:

• Pictogram(s): T
• Hazard Codes: T
• Statements: 25-36/37/38
• Safety Statements: 26-28-36/37-45

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1C2CNCC1C3=CC=CC(=O)N3C2
• Isomeric SMILES: C1[C@@H]2CNCC1C3=CC=CC(=O)N3C2
• General Description: Cytisine is a plant alkaloid found in the seeds of certain plants, known for its physiological activities, including potential applications as a respiratory analeptic and central nervous system regulator. It serves as a precursor for synthesizing derivatives, such as 5-cytisylmethylbarbituric acids, through chemical modifications like aminomethylation with barbituric acid derivatives. These derivatives may hold pharmaceutical significance due to their biological activity.

Technology Process of Pharmakon1600-01504027

There total 48 articles about Pharmakon1600-01504027 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: 96.0%

N-nosyl-(?)-cytisine → cytisine (485-35-8)

Guidance literature:

With potassium carbonate; thiophenol; In N,N-dimethyl-formamide; acetonitrile; at 45 ℃; for 0.5h;

DOI:10.1021/acs.joc.8b01156

Reference yield: 79.0%

(1R,9R)-11-tert-butoxycarbonyl-7,11-diazatricyclo[7.3.1.02,7]tridec-2,4-dien-6,10-dione → cytisine (485-35-8)

Guidance literature:

(1R,9R)-11-tert-butoxycarbonyl-7,11-diazatricyclo[7.3.1.0^2,7]tridec-2,4-dien-6,10-dione; With methanol; sodium tetrahydroborate; at 0 - 20 ℃; for 2h;

With triethylsilane; boron trifluoride diethyl etherate; In dichloromethane; at -78 - 20 ℃; for 15h;

DOI:10.1002/anie.201712852

Reference yield: 78.0%

(6R,7R,9R)-(-)-N-benzyloxycarbonyl-cytisine (667940-15-0) → cytisine (485-35-8)

Guidance literature:

With hydrogenchloride; In tetrahydrofuran; for 3h; Heating;

DOI:10.1021/ol0361507

upstream raw materials:

1,2,3,4,5,6-hexahydro-1,5-methano-pyrido[1,2-a][1,5]diazocin-8-one

(6R,7R,9R)-(-)-N-benzyloxycarbonyl-cytisine

(3S,5R)-(+)-3-acetoxymethyl-5-formyl-1-piperidine-1-carbvoxylic acid benzyl ester

(3S,5R)-3-acetoxymethyl-5-hydroxymethylpiperidine-1-carboxylic acid benzyl ester

Downstream raw materials:

N-(2-Hydroxyethyl)cytisine

(-)-rhombifoline

(1R,5S)-3-benzyl-1,2,3,4,5,6-hexahydro-8H-1,5-methanopyrido-[1,2-a][1,5]diazocin-8-one

(-)-N-methylcystine

Refernces

Chemical modification of plant alkaloids. I. Aminomethylation of barbituric acid derivatives by cytisine

10.1007/BF02236429

The study focuses on the chemical modification of plant alkaloids, specifically the aminomethylation of barbituric acid derivatives by cytisine. The researchers used cytisine, a plant alkaloid found in the seeds of certain plants, and barbituric acid derivatives to synthesize new compounds with potential biological activity. The purpose of these modifications is to create new cytisine derivatives that could have applications in medicine, particularly as respiratory analeptics and central nervous system regulators, given the physiological activities of cytisine and its synthetic derivatives. The study details the synthesis process, which involves the reaction of cytisine with 1-mono- and 1,3-disubstituted 5-arylmethylbarbituric acids in the presence of formaldehyde, leading to the formation of 5-cytisylmethylbarbituric acids. The structures of these products were confirmed using PMR spectroscopy and mass spectrometry, and the study also discusses the stereoselectivity of the reaction and the potential pharmaceutical applications of the synthesized compounds.

Post a RFQ

Cas No.:

Product Name:

Quantity:

Please select Metric Ton KG G Pound L ML

Email:

Company name:

Valid Period:

Detailed Requirements:

• Sample
• MOQ
• GMP
• FDA
• Price
  FOB CIF CFR EXW
• Urgent purchase

Enter 15 to 2000 letters.Word count: 0 letters

Attach files(File Format: Jpeg, Jpg, Gif, Png, PDF, PPT, Zip, Rar,Word or Excel Maximum File Size: 3MB)

Remove

Submit

1

What can I do for you?
Get Best Price

Get Best Price for 485-35-8 Cytisine

Send

Send

Metric Ton KG G Pound L ML

Send

Send