Desoxypeganine hydrochloride

Base Information

• Chemical Name: Desoxypeganine hydrochloride
• CAS No.: 61939-05-7
• Molecular Formula: C₁₁H₁₂N₂*ClH
• Molecular Weight: 208.691
• Hs Code.: 2933990090
• DSSTox Substance ID: DTXSID50210970
• Wikidata: Q4156832
• ChEMBL ID: CHEMBL1376378
• Mol file: 61939-05-7.mol

Synonyms:Desoxypeganine hydrochloride;61939-05-7;Pegene hydrochloride;Deoxyvasicine hydrochloride;1,2,3,9-tetrahydropyrrolo[2,1-b]quinazoline hydrochloride;Deoxypeganine hydrochloride;Deoxyvasicine HCl;Vasicine, deoxy-, hydrochloride;1,2,3,9-tetrahydropyrrolo[2,1-b]quinazoline;hydrochloride;MFCD00155365;Pyrrolo(2,1-b)quinazoline, 1,2,3,9-tetrahydro-, monohydrochloride;Deoxypeganine hydrochloride dihydrate;SR-01000783332;DESOXYPEGANINEHYDROCHLORIDE;Desoxypeganine HCl;MLS001202231;SPECTRUM1505169;SPECTRUM1505243;CHEMBL1376378;DTXSID50210970;CCG-38777;AKOS024461964;NCGC00095710-01;NCGC00095710-02;SMR000564986;LS-139680;FT-0713103;A13925;EN300-191457;MLS-0066767.0001;Q4156832;SR-01000783332-3;1H,2H,3H,9H-pyrrolo[2,1-b]quinazoline hydrochloride;Z2295423882

Chemical Property of Desoxypeganine hydrochloride

Chemical Property:

• Vapor Pressure: 0.000556mmHg at 25°C
• Melting Point: 260 °C
• Boiling Point: 311.6 °C at 760 mmHg
• Flash Point: 142.3 °C
• PSA: 15.60000
• LogP: 2.50150
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 208.0767261
• Heavy Atom Count: 14
• Complexity: 234

Purity/Quality:

99% ^*data from raw suppliers

Desoxypeganine Hydrochloride ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CC2=NC3=CC=CC=C3CN2C1.Cl
• Uses: Desoxypeganine Hydrochloride is a naturally occurring alkaloid that is a cholinesterase inhibitor.

Technology Process of Desoxypeganine hydrochloride

There total 1 articles about Desoxypeganine hydrochloride 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:

deoxyvasicinone (530-53-0) → 2,3-trimethylene-3,4-dihydroquinazoline hydrochloride (61939-05-7)

Guidance literature:

With sulfuric acid; zinc; for 5h; Yield given; Heating;

DOI:10.1007/BF00598997

Reference yield: 60.0%

2,3-trimethylene-3,4-dihydroquinazoline hydrochloride (61939-05-7) → deoxyvasicinone (530-53-0)

Guidance literature:

With potassium permanganate; sulfuric acid; water; for 4 - 5h; pH=2 - 3;

DOI:10.1007/s10600-008-9128-6

Reference yield: 46.0%

2,3-trimethylene-3,4-dihydroquinazoline hydrochloride (61939-05-7) → peganol (36101-54-9)

Guidance literature:

With potassium permanganate; sulfuric acid; water; for 2h; pH=2 - 3;

DOI:10.1007/s10600-008-9128-6

upstream raw materials:

deoxyvasicinone

Downstream raw materials:

peganol

4-bromopeganol

2-bromo-7,8-dihydro-6H,11H-pyrrolo[2,1-b]quinazolin-11-one

deoxyvasicinone

Refernces