Methanone, (1-amino-8,9-dihydro-5,8,8-trimethyl-6H-furo(2,3-b)pyrano(4,3-d)pyridin-2-yl)(4-bromophenyl)-

Base Information

• Chemical Name: Methanone, (1-amino-8,9-dihydro-5,8,8-trimethyl-6H-furo(2,3-b)pyrano(4,3-d)pyridin-2-yl)(4-bromophenyl)-
• CAS No.: 172985-16-9
• Molecular Formula: C20H19BrN2O3
• Molecular Weight: 415.2805
• DSSTox Substance ID: DTXSID30169457
• Wikidata: Q83039160
• ChEMBL ID: CHEMBL1440148

Synonyms:172985-16-9;Methanone, (1-amino-8,9-dihydro-5,8,8-trimethyl-6H-furo(2,3-b)pyrano(4,3-d)pyridin-2-yl)(4-bromophenyl)-;HMS668J10;ChemDiv1_028720;Oprea1_029853;MLS000071368;CHEMBL1440148;DTXSID30169457;HMS2291B12;STK525861;AKOS005459287;NCGC00018435-01;NCGC00018435-02;SMR000038764;SR-01000000412;SR-01000000412-2;(1-amino-5,8,8-trimethyl-8,9-dihydro-6H-furo[2,3-b]pyrano[4,3-d]pyridin-2-yl)(4-bromophenyl)methanone

Chemical Property of Methanone, (1-amino-8,9-dihydro-5,8,8-trimethyl-6H-furo(2,3-b)pyrano(4,3-d)pyridin-2-yl)(4-bromophenyl)-

Chemical Property:

• Vapor Pressure: 2.15E-13mmHg at 25°C
• Boiling Point: 578.8°Cat760mmHg
• Flash Point: 303.9°C
• Density: 1.438g/cm³
• XLogP3: 4.5
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 2
• Exact Mass: 414.05791
• Heavy Atom Count: 26
• Complexity: 549

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=C2COC(CC2=C3C(=C(OC3=N1)C(=O)C4=CC=C(C=C4)Br)N)(C)C

Technology Process of Methanone, (1-amino-8,9-dihydro-5,8,8-trimethyl-6H-furo(2,3-b)pyrano(4,3-d)pyridin-2-yl)(4-bromophenyl)-

There total 1 articles about Methanone, (1-amino-8,9-dihydro-5,8,8-trimethyl-6H-furo(2,3-b)pyrano(4,3-d)pyridin-2-yl)(4-bromophenyl)- 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: 94.1%

6-[2-(4-Bromo-phenyl)-2-oxo-ethoxy]-3,3,8-trimethyl-3,4-dihydro-1H-pyrano[3,4-c]pyridine-5-carbonitrile → (1-Amino-5,8,8-trimethyl-8,9-dihydro-6H-3,7-dioxa-4-aza-cyclopenta[a]naphthalen-2-yl)-(4-bromo-phenyl)-methanone (172985-16-9)

Guidance literature:

With sodium ethanolate; In ethanol; Heating;

DOI:10.1007/BF02219066

Reference yield: 88.2%

ethyl acetoacetate (141-97-9) + (1-Amino-5,8,8-trimethyl-8,9-dihydro-6H-3,7-dioxa-4-aza-cyclopenta[a]naphthalen-2-yl)-(4-bromo-phenyl)-methanone (172985-16-9) → 8-(4-bromophenyl)-1,2-dihydro-2,2,5,10-tetramethyl-4H-pyrano[4',3':4,5]pyrido[2,3-b]furo[3,2-b]pyridine-9-carboxylic acid

Guidance literature:

zinc(II) chloride; In xylene; Heating;

DOI:10.1023/A:1021250208442

Reference yield: 78.4%

formamide (77287-34-4,77287-35-5,60100-09-6) + (1-Amino-5,8,8-trimethyl-8,9-dihydro-6H-3,7-dioxa-4-aza-cyclopenta[a]naphthalen-2-yl)-(4-bromo-phenyl)-methanone (172985-16-9) → 8-(4-bromo-phenyl)-2,2,5-trimethyl-1,4-dihydro-2H-3,7-dioxa-6,9,11-triaza-benzo[c]fluorene

Guidance literature:

With piperidine; acetic acid; at 200 ℃;

DOI:10.1023/A:1021250208442

Downstream raw materials:

N-[2-(4-Bromo-benzoyl)-5,8,8-trimethyl-8,9-dihydro-6H-3,7-dioxa-4-aza-cyclopenta[a]naphthalen-1-yl]-acetamide

N-[2-(4-Bromo-benzoyl)-5,8,8-trimethyl-8,9-dihydro-6H-3,7-dioxa-4-aza-cyclopenta[a]naphthalen-1-yl]-2,2,2-trichloro-acetamide

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