8-Methyl-10-oxo-2,3,5,6-tetrahydro-1h,4h,10h-11-oxa-3a-aza-benzo[de]anthracene-9-carbaldehyde

Base Information

• Chemical Name: 8-Methyl-10-oxo-2,3,5,6-tetrahydro-1h,4h,10h-11-oxa-3a-aza-benzo[de]anthracene-9-carbaldehyde
• CAS No.: 142730-53-8
• Molecular Formula: C₁₇H₁₇NO₃
• Molecular Weight: 283.327
• DSSTox Substance ID: DTXSID301115382
• Mol file: 142730-53-8.mol

Synonyms:8-methyl-10-oxo-2,3,5,6-tetrahydro-1h,4h,10h-11-oxa-3a-aza-benzo[de]anthracene-9-carbaldehyde;142730-53-8;8-Methyl-10-oxo-2,3,5,6-tetrahydro-1H,4H,10H -11-oxa-3a-aza-benzo[de]anthracene-9-carbaldehyde;9-methyl-11-oxo-2,3,6,7-tetrahydro-1H,5H,11H-pyrano[2,3-f]pyrido[3,2,1-ij]quinoline-10-carbaldehyde;6-methyl-4-oxo-3-oxa-13-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2(7),5,8-tetraene-5-carbaldehyde;CBMicro_005372;Oprea1_100322;Oprea1_627437;MLS000711336;SCHEMBL2561903;DTXSID301115382;CCG-3618;SMSF0010457;STK723045;AKOS000301300;CB07462;9-methyl-11-oxo-2,3,5,6,7,11-hexahydro-1H-pyrano[2,3-f]pyrido[3,2,1-ij]quinoline-10-carbaldehyde;SMR000281103;BIM-0005249.P001;2,3,6,7-Tetrahydro-9-methyl-11-oxo-1H,5H,11H-[1]benzopyrano[6,7,8-ij]quinolizine-10-carboxaldehyde;8-methyl-10-oxo-2,3,5,6-tetrahydro-1 h ,4 h ,10 h-11-oxa-3a-aza-benzo[de ]anthracene-9-carbaldehyde

Chemical Property of 8-Methyl-10-oxo-2,3,5,6-tetrahydro-1h,4h,10h-11-oxa-3a-aza-benzo[de]anthracene-9-carbaldehyde

Chemical Property:

• XLogP3: 2.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 1
• Exact Mass: 283.12084340
• Heavy Atom Count: 21
• Complexity: 512

Purity/Quality:

98%min ^*data from raw suppliers

8-Methyl-10-oxo-2,3,5,6-tetrahydro-1H,4H,10H-11-oxa-3a-aza-benzo[de]anthracene-9-carbaldehyde ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xi

MSDS Files:

Useful:

• Canonical SMILES: CC1=C(C(=O)OC2=C1C=C3CCCN4C3=C2CCC4)C=O

Technology Process of 8-Methyl-10-oxo-2,3,5,6-tetrahydro-1h,4h,10h-11-oxa-3a-aza-benzo[de]anthracene-9-carbaldehyde

There total 1 articles about 8-Methyl-10-oxo-2,3,5,6-tetrahydro-1h,4h,10h-11-oxa-3a-aza-benzo[de]anthracene-9-carbaldehyde 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: 80.8%

coumarin 102 (41267-76-9,54576-75-9) + N,N-dimethyl-formamide (68-12-2,33513-42-7) → 6-methyl-4-oxo-3-oxa-13-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1,5,7,9(17)-tetraene-5-carbaldehyde (142730-53-8)

Guidance literature:

With trichlorophosphate; for 1.083h; Inert atmosphere;

Reference yield: 99.6%

(2R)-2-(2-cyano-N-methylacetamido)-N-methyl-3-[(triphenylmethyl)-sulfanyl]propanamide + 6-methyl-4-oxo-3-oxa-13-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1,5,7,9(17)-tetraene-5-carbaldehyde (142730-53-8) → 2-cyano-N-methyl-3-{6-methyl-4-oxo-3-oxa-13-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1,5,7,9(17)-tetraen-5-yl}-N-[(1R)-1-(methylcarbamoyl)-2-[(triphenylmethyl)sulfanyl]ethyl]prop-2-enamide

Guidance literature:

With piperidine; In ethanol; dichloromethane; at 20 ℃; for 72h; Sealed tube;

Reference yield:

methyl (2S)-6-{[(tert-butoxy)carbonyl]amino}-2-[(2R)-2-(2-cyano-N-methylacetamido)-3-[(triphenylmethyl)sulfanyl]propanamido]-hexanoate + 6-methyl-4-oxo-3-oxa-13-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1,5,7,9(17)-tetraene-5-carbaldehyde (142730-53-8) → methyl (2S)-6-{[(tert-butoxy)carbonyl]amino}-2-[(2R)-2-[2-cyano-N-methyl-3-{6-methyl-4-oxo-3-oxa-13-azatetra-cyclo-[7.7.1.02,7.013,17]heptadeca-1,5,7,9(17)-tetraen-5-yl}prop-2-enamido]-3-[(triphenylmethyl)sulfanyl]propanamido]hexanoate

Guidance literature:

With piperidine; In ethanol; dichloromethane; at 20 ℃; for 96h; Sealed tube;

upstream raw materials:

coumarin 102

N,N-dimethyl-formamide