Methyl 2-methyl-8-oxo-5,6,7,8-tetrahydro-1-oxa-7a-azaindacene-4-carboxylate

Base Information

Chemical Name:Methyl 2-methyl-8-oxo-5,6,7,8-tetrahydro-1-oxa-7a-azaindacene-4-carboxylate
CAS No.:866393-55-7
Molecular Formula:C₁₃H₁₃NO₄
Molecular Weight:247.251
Hs Code.:
DSSTox Substance ID:DTXSID80469611
Nikkaji Number:J2.236.924E
Wikidata:Q82297399
Mol file:866393-55-7.mol

Synonyms:866393-55-7;Methyl 2-methyl-8-oxo-5,6,7,8-tetrahydro-1-oxa-7a-azaindacene-4-carboxylate;METHYL2-METHYL-8-OXO-5,6,7,8-TETRAHYDRO-1-OXA-7A-AZAINDACENE-4-CARBOXYLATE;methyl 2-methyl-9-oxo-6,7-dihydro-5H-furo[2,3-f]indolizine-4-carboxylate;DTXSID80469611;AKOS015911795;FT-0652520;A841752;Methyl 2-methyl-9-oxo-5,6,7,9-tetrahydrofuro[2,3-f]indolizine-4-carboxylate

Suppliers and Price of Methyl 2-methyl-8-oxo-5,6,7,8-tetrahydro-1-oxa-7a-azaindacene-4-carboxylate

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

American Custom Chemicals Corporation
METHYL 2-METHYL-8-OXO-5,6,7,8-TETRAHYDRO-1-OXA-7A-AZAINDACENE-4-CARBOXYLATE 95.00%
5G
$ 909.56

Total 3 raw suppliers

Chemical Property of Methyl 2-methyl-8-oxo-5,6,7,8-tetrahydro-1-oxa-7a-azaindacene-4-carboxylate

Chemical Property:

Vapor Pressure:9.38E-08mmHg at 25°C
Refractive Index:1.6
Boiling Point:434.6°C at 760 mmHg
Flash Point:216.6°C
PSA：61.44000
Density:1.36g/cm³
LogP:1.63570
XLogP3:1.3
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:2
Exact Mass:247.08445790
Heavy Atom Count:18
Complexity:442

Purity/Quality:

97% ^*data from raw suppliers

METHYL 2-METHYL-8-OXO-5,6,7,8-TETRAHYDRO-1-OXA-7A-AZAINDACENE-4-CARBOXYLATE 95.00% ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC1=CC2=C(O1)C(=O)N3CCCC3=C2C(=O)OC

Technology Process of Methyl 2-methyl-8-oxo-5,6,7,8-tetrahydro-1-oxa-7a-azaindacene-4-carboxylate

There total 4 articles about Methyl 2-methyl-8-oxo-5,6,7,8-tetrahydro-1-oxa-7a-azaindacene-4-carboxylate 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: 97.0%

: 866393-51-3
methyl 7-allyl-6-hydroxy-5-oxo-1,2,3,5-tetrahydroindolizine-8-carboxylate

: 866393-55-7
methyl 2-methyl-8-oxo-5,6,7,8-tetrahydro-1-oxa-7a-aza-s-indacene-4-carboxylate

Guidance literature:: With oxygen; palladium dichloride; In water; N,N-dimethyl-formamide; at 20 ℃; for 12h;
DOI:10.1021/jo0511492

Reference yield:

: 185198-40-7
1-(2-benzenesulfonyl-2-diazoacetyl)pyrrolidin-2-one

: 866393-55-7
methyl 2-methyl-8-oxo-5,6,7,8-tetrahydro-1-oxa-7a-aza-s-indacene-4-carboxylate

Guidance literature:: Multi-step reaction with 4 steps

1: Rh(II)

2: 96 percent / K₂CO₃ / acetone / 18 h / Heating

3: 70 percent / dimethylformamide / 1 h / Heating

4: 97 percent / O₂; CuCl₂*H₂O; PdCl₂ / dimethylformamide; H₂O / 12 h / 20 °C

With oxygen; potassium carbonate; palladium dichloride; rhodium⁽²⁺⁾; In water; N,N-dimethyl-formamide; acetone; 2: Williamson etherification / 3: Claisen rearrangement;
DOI:10.1021/jo0511492

Reference yield:

: 866393-47-7
methyl 6-allyloxy-5-oxo-1,2,3,5-tetrahydroindolizine-8-carboxylate

: 866393-55-7
methyl 2-methyl-8-oxo-5,6,7,8-tetrahydro-1-oxa-7a-aza-s-indacene-4-carboxylate

Guidance literature:: Multi-step reaction with 2 steps

1: 70 percent / dimethylformamide / 1 h / Heating

2: 97 percent / O₂; CuCl₂*H₂O; PdCl₂ / dimethylformamide; H₂O / 12 h / 20 °C

With oxygen; palladium dichloride; In water; N,N-dimethyl-formamide; 1: Claisen rearrangement;
DOI:10.1021/jo0511492