6-methoxy-2,3,4,9-tetrahydro-1H-carbazol-1-one

Base Information

• Chemical Name: 6-methoxy-2,3,4,9-tetrahydro-1H-carbazol-1-one
• CAS No.: 3449-49-8
• Molecular Formula: C₁₃H₁₃NO₂
• Molecular Weight: 215.252
• DSSTox Substance ID: DTXSID101250108
• Nikkaji Number: J1.058.411F
• Wikidata: Q107966893
• Mol file: 3449-49-8.mol

Synonyms:6-methoxy-2,3,4,9-tetrahydro-1H-carbazol-1-one;3449-49-8;6-Methoxy-2,3,4,9-tetrahydro-carbazol-1-one;6-methoxy-2,3,4,9-tetrahydrocarbazol-1-one;CBMicro_026969;Oprea1_330378;Oprea1_464882;SCHEMBL4142893;DTXSID101250108;MFCD00459564;STK332142;AKOS000669624;BS-51066;BIM-0026912.P001;BB 0260516;CS-0232442;6-methoxy-1,2,3,4-tetrahydrocarbazol-1-one;E76682;3,4-Dihydro-6-methoxy-9H-carbazole-1(2H)-one;EN300-1272310;SR-01000521409;2,3,4,9-Tetrahydro-6-methoxy-1H-carbazol-1-one;SR-01000521409-1;1H-Carbazol-1-one, 2,3,4,9-tetrahydro-6-methoxy-;Z1259157527

Chemical Property of 6-methoxy-2,3,4,9-tetrahydro-1H-carbazol-1-one

Chemical Property:

• Melting Point: 213-214 °C(Solv: acetone, 50% (67-64-1))
• Boiling Point: 420.8±40.0 °C(Predicted)
• PKA: 14.84±0.20(Predicted)
• Density: 1.272±0.06 g/cm3(Predicted)
• XLogP3: 2.5
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 215.094628657
• Heavy Atom Count: 16
• Complexity: 292

Purity/Quality:

97% ^*data from raw suppliers

6-methoxy-2,3,4,9-tetrahydro-1H-carbazol-1-one ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xi

MSDS Files:

Useful:

• Canonical SMILES: COC1=CC2=C(C=C1)NC3=C2CCCC3=O

Technology Process of 6-methoxy-2,3,4,9-tetrahydro-1H-carbazol-1-one

There total 22 articles about 6-methoxy-2,3,4,9-tetrahydro-1H-carbazol-1-one 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: 83.0%

cyclohexane-1,2-dione mono(4-methoxyphenyl)hydrazone (2257-15-0) → 6-methoxy-2,3,4,9-tetrahydro-1H-carbazol-1-one (3449-49-8)

Guidance literature:

With acetic acid; trifluoroacetic acid; for 3h; Heating;

Reference yield: 74.0%

4-methoxyphenylhydrazine hydrochloride (19501-58-7) + 2-aminocyclohexanone hydrochloride (6946-05-0) → 6-methoxy-2,3,4,9-tetrahydro-1H-carbazol-1-one (3449-49-8)

Guidance literature:

4-methoxyphenylhydrazine hydrochloride; 2-aminocyclohexanone hydrochloride; With sodium hydroxide; water; at 20 ℃; for 0.25h;

With water; acetic acid; for 5h; Reflux;

DOI:10.1080/00397910802499567

Reference yield: 60.0%

1-cyclohexane-1,2-dione (4-methoxyphenyl)hydrazome (2257-15-0) → 6-methoxy-2,3,4,9-tetrahydro-1H-carbazol-1-one (3449-49-8)

Guidance literature:

With montmorillonite-KSF; for 0.0333333h; Microwave irradiation;

upstream raw materials:

cyclohexanone-2-ol

4-Methoxyphenylhydrazine

4-(5-methoxy-1H-indol-3-yl)butyric acid

acetic anhydride

Downstream raw materials:

1-cyclohexane-1,2-dione (4-methoxyphenyl)hydrazome

6-methoxy-2,3,4,9-tetrahydro-1H-carbazol-1-amine

C₂₀H₂₁N₃O₃S

3-methoxycarbazole