6H-Pyrimido(4,5-b)pyrrolizine-9-carbothioamide, 7,8-dihydro-4-phenyl-

Base Information

Chemical Name:6H-Pyrimido(4,5-b)pyrrolizine-9-carbothioamide, 7,8-dihydro-4-phenyl-
CAS No.:139156-99-3
Molecular Formula:C₁₆H₁₄N₄S
Molecular Weight:294.38
Hs Code.:
DSSTox Substance ID:DTXSID90160940
Nikkaji Number:J454.156A
Wikidata:Q83029293

Synonyms:BRN 5446797;6H-Pyrimido(4,5-b)pyrrolizine-9-carbothioamide, 7,8-dihydro-4-phenyl-;5,6-Trimethylene-7-thiocarbamoyl-4-phenylpyrrolo(3,2-d)pyrimidine;7,8-Dihydro-4-phenyl-6H-pyrimido(4,5-b)pyrrolizine-9-carbothioamide;139156-99-3;DTXSID90160940;LS-136301;4-Phenyl-7,8-dihydro-9-thiocarbamoyl-6H-pyrimido[4,5-b]pyrrolidine

Suppliers and Price of 6H-Pyrimido(4,5-b)pyrrolizine-9-carbothioamide, 7,8-dihydro-4-phenyl-

Supply Marketing:

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

Manufacturers and distributors:

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Chemical Property of 6H-Pyrimido(4,5-b)pyrrolizine-9-carbothioamide, 7,8-dihydro-4-phenyl-

Chemical Property:

Vapor Pressure:8.41E-13mmHg at 25°C
Boiling Point:565.3°Cat760mmHg
Flash Point:295.7°C
Density:1.45g/cm³
XLogP3:1.9
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:2
Exact Mass:294.09391764
Heavy Atom Count:21
Complexity:409

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:C1CC2=C(C3=C(N2C1)C(=NC=N3)C4=CC=CC=C4)C(=S)N

Technology Process of 6H-Pyrimido(4,5-b)pyrrolizine-9-carbothioamide, 7,8-dihydro-4-phenyl-

There total 6 articles about 6H-Pyrimido(4,5-b)pyrrolizine-9-carbothioamide, 7,8-dihydro-4-phenyl- 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: 46.0%

: 139156-97-1
5,6-trimethylene-4-phenyl-7-carbamoylpyrrolo<3,2-d>pyrimidine

: 139156-99-3
5,6-trimethylene-7-thiocarbamoyl-4-phenylpyrrolo<3,2-d>pyrimidine

Guidance literature:: With tetraphosphorus decasulfide; In xylene; for 4h; Heating;
DOI:10.1007/BF00778973

Reference yield:

: 5626-75-5
Δ^2,α-Pyrrolidinemalononitrile

: 139156-99-3
5,6-trimethylene-7-thiocarbamoyl-4-phenylpyrrolo<3,2-d>pyrimidine

Guidance literature:: Multi-step reaction with 4 steps

1: 92 percent / K₂CO₃ / acetone

2: 97 percent / Na, EtOH / 2.5 h / 20 °C

3: 30 percent / 85percent aq. formic acid / dimethylformamide / 2 h / Heating

4: 46 percent / P₂S₅ / xylene / 4 h / Heating

With formic acid; tetraphosphorus decasulfide; ethanol; sodium; potassium carbonate; In N,N-dimethyl-formamide; acetone; xylene;
DOI:10.1007/BF00778973

Reference yield:

: 70-11-1
α-bromoacetophenone

: 139156-99-3
5,6-trimethylene-7-thiocarbamoyl-4-phenylpyrrolo<3,2-d>pyrimidine

Guidance literature:: Multi-step reaction with 4 steps

1: 92 percent / K₂CO₃ / acetone

2: 97 percent / Na, EtOH / 2.5 h / 20 °C

3: 30 percent / 85percent aq. formic acid / dimethylformamide / 2 h / Heating

4: 46 percent / P₂S₅ / xylene / 4 h / Heating

With formic acid; tetraphosphorus decasulfide; ethanol; sodium; potassium carbonate; In N,N-dimethyl-formamide; acetone; xylene;
DOI:10.1007/BF00778973