Pyrano(2,3-g)indole-2-carboxylic acid, 1,7,8,9-tetrahydro-5-methoxy-9-oxo-

Base Information

Chemical Name:Pyrano(2,3-g)indole-2-carboxylic acid, 1,7,8,9-tetrahydro-5-methoxy-9-oxo-
CAS No.:81258-05-1
Molecular Formula:C₁₃H₁₁NO₅
Molecular Weight:261.234
Hs Code.:
DSSTox Substance ID:DTXSID70230998
Wikidata:Q83111801
Mol file:81258-05-1.mol

Synonyms:81258-05-1;Pyrano(2,3-g)indole-2-carboxylic acid, 1,7,8,9-tetrahydro-5-methoxy-9-oxo-;1,7,8,9-Tetrahydro-5-methoxy-9-oxopyrano(2,3-g)indole-2-carboxylic acid;5-methoxy-9-oxo-7,8-dihydro-1H-pyrano[2,3-g]indole-2-carboxylic acid;Acide, 5-methoxy-9-oxo-7,8-dihydro-pyranno(2,3-g)indole-2-carboxylique [French];Acide, 5-methoxy-9-oxo-7,8-dihydro-pyranno(2,3-g)indole-2-carboxylique;Oprea1_589162;AO-079/15259058;SCHEMBL3113882;DTXSID70230998;5-methoxy-9-oxo-1,7,8,9-tetrahydropyrano[2,3-g]indole-2-carboxylic acid

Suppliers and Price of Pyrano(2,3-g)indole-2-carboxylic acid, 1,7,8,9-tetrahydro-5-methoxy-9-oxo-

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
PYRANO(2,3-G)INDOLE-2-CARBOXYLIC ACID, 1,7,8,9-TETRAHYDRO-5-METHOXY-9-OXO- 95.00%
5MG
$ 501.36

Total 3 raw suppliers

Chemical Property of Pyrano(2,3-g)indole-2-carboxylic acid, 1,7,8,9-tetrahydro-5-methoxy-9-oxo-

Chemical Property:

Vapor Pressure:4.69E-15mmHg at 25°C
Boiling Point:596.1°C at 760 mmHg
PKA:4.26±0.20(Predicted)
Flash Point:314.3°C
PSA：88.62000
Density:1.511g/cm³
LogP:1.83990
XLogP3:1.3
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:2
Exact Mass:261.06372245
Heavy Atom Count:19
Complexity:399

Purity/Quality:: PYRANO(2,3-G)INDOLE-2-CARBOXYLIC ACID, 1,7,8,9-TETRAHYDRO-5-METHOXY-9-OXO- 95.00% ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:COC1=C2C(=C3C(=C1)C=C(N3)C(=O)O)C(=O)CCO2

Technology Process of Pyrano(2,3-g)indole-2-carboxylic acid, 1,7,8,9-tetrahydro-5-methoxy-9-oxo-

There total 9 articles about Pyrano(2,3-g)indole-2-carboxylic acid, 1,7,8,9-tetrahydro-5-methoxy-9-oxo- 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: 93.0%

: 81257-90-1
acide tetrahydro-1,7,8,9-pyranno<2,3-g>indolecarboxylique-2

: 81258-05-1
acide methoxy-5 oxo-9 dihydro-7,8 pyranno<2,3-g>indolecarboxylique-2

Guidance literature:: With potassium hydroxide; In water;

Reference yield: 93.0%

: 81258-03-9
methoxy-5 oxo-9 dihydro-7,8 pyranno<2,3-g>indolecarboxylate-2 de methyle

: 81258-05-1
acide methoxy-5 oxo-9 dihydro-7,8 pyranno<2,3-g>indolecarboxylique-2

Guidance literature:: With potassium hydroxide; water;
DOI:10.1139/v82-299

Reference yield:

: 7368-78-7
4-bromoguaiacol

: 81258-05-1
acide methoxy-5 oxo-9 dihydro-7,8 pyranno<2,3-g>indolecarboxylique-2

Guidance literature:: Multi-step reaction with 8 steps

1: 1) NaOH / 1) H₂O, reflux, 15 min; 2) H₂O, reflux, 50 min

2: 1) H₃PO₄, P₂O₅ / 1) benzene, 4 h, reflux; 2) benzene 12 h, reflux

3: 82 percent / 3 percent p-toluenesulfonic acid / toluene / 7 h / Heating

4: 1) n-BuLi / 1) ether, -70 deg C, 6 h; 2) ether, 12 h, -70 deg C

5: Na / methanol / 168 h / 0 °C

6: xylene / 3 h / Heating

7: conc. HCl, H₂O / ethanol / 18 h

8: 93 percent / KOH, H₂O

With hydrogenchloride; potassium hydroxide; sodium hydroxide; n-butyllithium; phosphoric acid; water; sodium; phosphorus pentoxide; toluene-4-sulfonic acid; In methanol; ethanol; toluene; xylene;
DOI:10.1139/v82-299