Methyl 2-(11-methyl-2-oxo-1,3,10-triazatricyclo[6.4.1.04,13]trideca-4,6,8(13)-trien-10-yl)acetate

Base Information

Chemical Name:Methyl 2-(11-methyl-2-oxo-1,3,10-triazatricyclo[6.4.1.04,13]trideca-4,6,8(13)-trien-10-yl)acetate
CAS No.:131514-83-5
Molecular Formula:C₁₄H₁₇N₃O₃
Molecular Weight:275.307
Hs Code.:
ChEMBL ID:CHEMBL165248
DSSTox Substance ID:DTXSID10927234
Nikkaji Number:J374.269E

Synonyms:131514-83-5;CHEMBL165248;DTXSID10927234;methyl 2-[methyl(oxo)[?]yl]acetate;(+/-)-6-(Methoxycarbonylmethyl)-4,5,6,7-tetrahydro-5-methylimidazo[4,5,1-jk][1,4]benzodiazepin-2(1H)-one;Methyl (2-hydroxy-5-methyl-4,5-dihydroimidazo[4,5,1-jk][1,4]benzodiazepin-6(7H)-yl)acetate

Suppliers and Price of Methyl 2-(11-methyl-2-oxo-1,3,10-triazatricyclo[6.4.1.04,13]trideca-4,6,8(13)-trien-10-yl)acetate

Supply Marketing:

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

Manufacturers and distributors:

Manufacture/Brand
Chemicals and raw materials
Packaging
price

Total 0 raw suppliers

Chemical Property of Methyl 2-(11-methyl-2-oxo-1,3,10-triazatricyclo[6.4.1.04,13]trideca-4,6,8(13)-trien-10-yl)acetate

Chemical Property:

Density:1.3g/cm³
XLogP3:0.7
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:3
Exact Mass:275.12699141
Heavy Atom Count:20
Complexity:415

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC1CN2C3=C(CN1CC(=O)OC)C=CC=C3NC2=O

Technology Process of Methyl 2-(11-methyl-2-oxo-1,3,10-triazatricyclo[6.4.1.04,13]trideca-4,6,8(13)-trien-10-yl)acetate

There total 8 articles about Methyl 2-(11-methyl-2-oxo-1,3,10-triazatricyclo[6.4.1.04,13]trideca-4,6,8(13)-trien-10-yl)acetate 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: 57.0%

: 126233-79-2
4,5,6,7-tetrahydro-5-methylimidazo<4,5,1-jk><1,4>benzodiazepin-2(1H)-one

: 96-32-2
bromoacetic acid methyl ester

: 131514-83-5
(8-Methyl-1-oxo-1,2,8,9-tetrahydro-6H-2,7,9a-triaza-benzo[cd]azulen-7-yl)-acetic acid methyl ester

Guidance literature:: With sodium carbonate; potassium iodide; In N,N-dimethyl-formamide; for 22.5h; Ambient temperature;
DOI:10.1021/jm00106a040

Reference yield:

: 6286-36-8
2-bromo-3-nitrobenzoic acid chloride

: 131514-83-5
(8-Methyl-1-oxo-1,2,8,9-tetrahydro-6H-2,7,9a-triaza-benzo[cd]azulen-7-yl)-acetic acid methyl ester

Guidance literature:: Multi-step reaction with 7 steps

1: 1 h / Heating

2: Na₂CO₃ / butan-1-ol / 1.5 h / Heating

3: 93 percent / 2-hydroxypyridine / xylene / 19 h / Heating

4: lithium aluminum hydride, conc. H₂SO₄ / tetrahydrofuran / 24 h

5: 71 percent / tetrahydrofuran / 1.) 0 deg C, 10 min, 2.) RT, 1 h

6: 87 percent / H₂ / 10percent Pd/C / acetic acid / 6 h / 42 °C / 3102.9 Torr

7: 57 percent / potassium iodide, sodium carbonate / dimethylformamide / 22.5 h / Ambient temperature

With 2-hydroxypyridin; lithium aluminium tetrahydride; sulfuric acid; hydrogen; sodium carbonate; potassium iodide; palladium on activated charcoal; In tetrahydrofuran; acetic acid; N,N-dimethyl-formamide; xylene; butan-1-ol;
DOI:10.1021/jm00106a040

Reference yield:

: 573-54-6
2-bromo-3-nitro-benzoic acid

: 131514-83-5
(8-Methyl-1-oxo-1,2,8,9-tetrahydro-6H-2,7,9a-triaza-benzo[cd]azulen-7-yl)-acetic acid methyl ester

Guidance literature:: Multi-step reaction with 8 steps

1: thionyl chloride / toluene / 2 h / Heating

2: 1 h / Heating

3: Na₂CO₃ / butan-1-ol / 1.5 h / Heating

4: 93 percent / 2-hydroxypyridine / xylene / 19 h / Heating

5: lithium aluminum hydride, conc. H₂SO₄ / tetrahydrofuran / 24 h

6: 71 percent / tetrahydrofuran / 1.) 0 deg C, 10 min, 2.) RT, 1 h

7: 87 percent / H₂ / 10percent Pd/C / acetic acid / 6 h / 42 °C / 3102.9 Torr

8: 57 percent / potassium iodide, sodium carbonate / dimethylformamide / 22.5 h / Ambient temperature

With 2-hydroxypyridin; lithium aluminium tetrahydride; thionyl chloride; sulfuric acid; hydrogen; sodium carbonate; potassium iodide; palladium on activated charcoal; In tetrahydrofuran; acetic acid; N,N-dimethyl-formamide; toluene; xylene; butan-1-ol;
DOI:10.1021/jm00106a040