Benzo(1,2-b:4,3-b')dipyrrole-2-carboxylic acid, 3,6,7,8-tetrahydro-6-(aminocarbonyl)-5-hydroxy-4-methoxy-

Base Information

Chemical Name:Benzo(1,2-b:4,3-b')dipyrrole-2-carboxylic acid, 3,6,7,8-tetrahydro-6-(aminocarbonyl)-5-hydroxy-4-methoxy-
CAS No.:62497-62-5
Molecular Formula:C13H13N3O5
Molecular Weight:291.2594
Hs Code.:
DSSTox Substance ID:DTXSID40211532
Nikkaji Number:J327.330J
Wikidata:Q83086487
Mol file:62497-62-5.mol

Synonyms:PDE I;K 12 (phosphodiesterase inhibitor);62497-62-5;Benzo(1,2-b:4,3-b')dipyrrole-2-carboxylic acid, 3,6,7,8-tetrahydro-6-(aminocarbonyl)-5-hydroxy-4-methoxy-;BRN 0964677;C13H13N3O5;DTXSID40211532;C13-H13-N3-O5;LS-34807

Suppliers and Price of Benzo(1,2-b:4,3-b')dipyrrole-2-carboxylic acid, 3,6,7,8-tetrahydro-6-(aminocarbonyl)-5-hydroxy-4-methoxy-

Supply Marketing:

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

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Chemical Property of Benzo(1,2-b:4,3-b')dipyrrole-2-carboxylic acid, 3,6,7,8-tetrahydro-6-(aminocarbonyl)-5-hydroxy-4-methoxy-

Chemical Property:

Vapor Pressure:6.92E-18mmHg at 25°C
Boiling Point:652°Cat760mmHg
Flash Point:348.1°C
PSA：129.87000
Density:1.66g/cm³
LogP:1.60030
XLogP3:0.3
Hydrogen Bond Donor Count:4
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:2
Exact Mass:291.08552052
Heavy Atom Count:21
Complexity:459

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:COC1=C2C(=C3CCN(C3=C1O)C(=O)N)C=C(N2)C(=O)O

Technology Process of Benzo(1,2-b:4,3-b')dipyrrole-2-carboxylic acid, 3,6,7,8-tetrahydro-6-(aminocarbonyl)-5-hydroxy-4-methoxy-

There total 27 articles about Benzo(1,2-b:4,3-b')dipyrrole-2-carboxylic acid, 3,6,7,8-tetrahydro-6-(aminocarbonyl)-5-hydroxy-4-methoxy- 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%

: 112014-72-9
benzyl 4-benzyloxy-3-carbamoyl-5-methoxy-1,2,3,6-tetrahydropyrrolo<3,2-e>indole-7-carboxylate

: 62497-62-5
6-aminocarbonyl-3,6,7,8-tetrahydro-5-hydroxy-4-methoxybenzo[1,2-b:4,3-b']dipyrrole-2-carboxylic acid

Guidance literature:: With hydrogen; palladium on activated charcoal; In methanol; for 1h; under 3102.9 Torr;

Reference yield: 96.0%

: 67805-48-5
methyl 6-(aminocarbonyl)-3,6,7,8-tetrahydro-5-hydroxy-4-methoxybenzo[1,2-b:4,3-b′]dipyrrole-2-carboxylate

: 62497-62-5
6-aminocarbonyl-3,6,7,8-tetrahydro-5-hydroxy-4-methoxybenzo[1,2-b:4,3-b']dipyrrole-2-carboxylic acid

Guidance literature:: With lithium hydroxide; In tetrahydrofuran; methanol; water; at 50 ℃; for 1h;
DOI:10.1021/ja00243a027

Reference yield:

: 106674-09-3
4-(Diethoxy-phosphoryloxy)-5-methoxy-3,6-dihydro-pyrrolo[3,2-e]indole-1,7-dicarboxylic acid 7-methyl ester

: 62497-62-5
6-aminocarbonyl-3,6,7,8-tetrahydro-5-hydroxy-4-methoxybenzo[1,2-b:4,3-b']dipyrrole-2-carboxylic acid

Guidance literature:: Multi-step reaction with 5 steps

1: 60 percent / Cu, i-Pr₂NEt, DMF / various solvent(s) / 130 °C

2: Et₃SiH-trifluoroacetic acid / CH₂Cl₂ / 0 - 20 °C

3: acetic acid

4: 68 percent / MeC(CH₂OH)3, KOH / methanol

5: 75 percent / 0.01 M aq. KOH / aq. KOH

With triethylsilane; potassium hydroxide; 2-(hydroxymethyl)-2-methylpropane-1,3-diol; acetic acid; trifluoroacetic acid; copper; N-ethyl-N,N-diisopropylamine; N,N-dimethyl-formamide; In methanol; potassium hydroxide; dichloromethane;
DOI:10.1039/c39860001162