7,8-Dehydrorutaecarpine

Base Information

• Chemical Name: 7,8-Dehydrorutaecarpine
• CAS No.: 55786-24-8
• Molecular Formula: C18H11 N3 O
• Molecular Weight: 285.305
• Hs Code.: 2933990090
• DSSTox Substance ID: DTXSID40204348
• Nikkaji Number: J794.935I
• Wikidata: Q83077791
• Pharos Ligand ID: A84GTS189MBK
• ChEMBL ID: CHEMBL4098122,CHEMBL413956
• Mol file: 55786-24-8.mol

Synonyms:7,8-Dehydrorutaecarpine;55786-24-8;CHEMBL413956;Indolo(2',3':3,4)pyrido(2,1-b)quinazolin-5(13H)-one;Indolo[2',3':3,4]pyrido[2,1-b]quinazolin-5(13H)-one;CHEMBL4098122;SCHEMBL11045540;SCHEMBL23226026;DTXSID40204348;BDBM50131044;13H-Indolo[2'',3'':3,4]pyrido[2,1-b]quinazolin-5-one;3,13,21-triazapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-1(21),2(10),4,6,8,11,15,17,19-nonaen-14-one

Chemical Property of 7,8-Dehydrorutaecarpine

Chemical Property:

• Melting Point: 279.5-280.5 °C(Solv: 1,2-dichloroethane (107-06-2))
• Boiling Point: 560.7°Cat760mmHg
• PKA: 15.76±0.20(Predicted)
• Flash Point: 292.9°C
• PSA: 50.16000
• Density: 1.44g/cm³
• LogP: 3.48220
• XLogP3: 3.1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 285.090211983
• Heavy Atom Count: 22
• Complexity: 555

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C2C(=C1)C3=C(N2)C4=NC5=CC=CC=C5C(=O)N4C=C3

Technology Process of 7,8-Dehydrorutaecarpine

There total 6 articles about 7,8-Dehydrorutaecarpine 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: 18.0%

2-chloro-3-<2-(indol-3-yl)ethyl>-4(3H)-quinazolinone (98260-32-3) → rutaecarpine (84-26-4) + 3-(2-formamidophenyl)-9-oxo-1,2,3,9-tetrahydropyrrolo<2,1-b>quinazoline + 7,8-Dehydrorutecarpine (55786-24-8)

Guidance literature:

In acetonitrile; for 0.333333h; Irradiation;

Reference yield:

2-amino-N-[2-(1H-indol-3-yl)ethyl]benzamide (33284-02-5) + Vilsmeier reagent (3724-43-4,149409-22-3) → rutaecarpine (84-26-4) + 7,8-Dehydrorutecarpine (55786-24-8)

Guidance literature:

In N,N-dimethyl-formamide; at 150 ℃; for 0.833333h; Inert atmosphere; Microwave irradiation;

DOI:10.1021/ol201793v

Reference yield:

Rutaecarpene (38750-16-2) → rutaecarpine (84-26-4) + 7,8-Dehydrorutecarpine (55786-24-8)

Guidance literature:

With manganese(IV) oxide; In benzene; for 7.5h; Yield given. Yields of byproduct given;

DOI:10.1002/ardp.19803131204

upstream raw materials:

2-chloro-3-<2-(indol-3-yl)ethyl>-4(3H)-quinazolinone

Rutaecarpene

tryptamine

isatoic anhydride

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