3H-Pyrimido[4',5':3,4]cyclobuta[1,2-f]benzimidazole

Base Information

Chemical Name:3H-Pyrimido[4',5':3,4]cyclobuta[1,2-f]benzimidazole
CAS No.:96228-76-1
Molecular Formula:C₁₁H₆N₄
Molecular Weight:194.195
Hs Code.:2933990090
DSSTox Substance ID:DTXSID60541141
Wikidata:Q82417390
Mol file:96228-76-1.mol

Synonyms:96228-76-1;3H-Pyrimido[4',5':3,4]cyclobuta[1,2-f]benzimidazole;DTXSID60541141;4,6,11,13-tetrazatetracyclo[7.6.0.03,7.010,15]pentadeca-1,3(7),4,8,10,12,14-heptaene

Suppliers and Price of 3H-Pyrimido[4',5':3,4]cyclobuta[1,2-f]benzimidazole

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

AccelPharmtech
3H-Pyrimido[4',5':3,4]cyclobuta[1,2-f]benzimidazole 97.00%
25G
$ 13300.00

AccelPharmtech
3H-Pyrimido[4',5':3,4]cyclobuta[1,2-f]benzimidazole 97.00%
5G
$ 5360.00

Total 4 raw suppliers

Chemical Property of 3H-Pyrimido[4',5':3,4]cyclobuta[1,2-f]benzimidazole

Chemical Property:

PSA：54.46000
LogP:2.00030
XLogP3:0
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:0
Exact Mass:194.059246208
Heavy Atom Count:15
Complexity:269

Purity/Quality:: 3H-Pyrimido[4',5':3,4]cyclobuta[1,2-f]benzimidazole 97.00% ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:C1=C2C(=CC3=C1NC=N3)C4=CN=CN=C24

Technology Process of 3H-Pyrimido[4',5':3,4]cyclobuta[1,2-f]benzimidazole

There total 13 articles about 3H-Pyrimido[4',5':3,4]cyclobuta[1,2-f]benzimidazole 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: 11.0%

: 96245-29-3
pyrimido<4,5-i>imidazo<4,5-g>cinnoline

: 96228-76-1
imidazo<4,5-g>-1,3-diazabiphenylene

Guidance literature:: at 810 - 850 ℃; under 0.001 Torr;
DOI:10.1021/jo00214a011

Reference yield:

: 96228-48-7
2-acetamido-4-chloro-5-nitroacetophenone

: 96228-76-1
imidazo<4,5-g>-1,3-diazabiphenylene

Guidance literature:: Multi-step reaction with 13 steps

1: 86 percent / butan-1-ol / 4 h / Heating

2: H₂ / Raney Ni / dimethylformamide; aq. NH₃ / 2 h / 25 °C / 2280 Torr

3: 80 percent / HCOOH / 3 h / Heating

4: 92 percent / aq. HCl / ethanol / 1.5 h / Heating

6: 80 percent / isoamyl nitrite / ethanol; HCl / 1.) 0 deg C, 30 min, 2.) 25 deg C, 16 h

7: 76 percent / acetic anhydride / 1 h / 140 °C

8: SnCl₂*2H₂O, 12N HCl / H₂O / 1.) 0 deg C, 2 h, 2.) 25 deg C, 16 h

9: KOH / H₂O; ethanol / 2 h / Heating

10: 85 percent / Na / ethanol / 3 h / Heating

11: 80 percent / Et₄N⁽¹⁺⁾Cl^(1-), PhNEt₂,POCl₃ / acetonitrile / 4 h / 100 °C

12: 53 percent / Na / NH₃ / 2.5 h / -75 °C

13: 11 percent / 810 - 850 °C / 0 Torr

With hydrogenchloride; potassium hydroxide; formic acid; tetraethylammonium chloride; ammonia; hydrogen; sodium; acetic anhydride; N,N-diethylaniline; tin(ll) chloride; trichlorophosphate; isopentyl nitrite; nickel; In hydrogenchloride; ammonium hydroxide; ethanol; water; N,N-dimethyl-formamide; acetonitrile; butan-1-ol;
DOI:10.1021/jo00214a011

Reference yield:

: 96228-49-8
2-acetamido-4-(benzylamino)-5-nitroacetophenone

: 96228-76-1
imidazo<4,5-g>-1,3-diazabiphenylene

Guidance literature:: Multi-step reaction with 12 steps

1: H₂ / Raney Ni / dimethylformamide; aq. NH₃ / 2 h / 25 °C / 2280 Torr

2: 80 percent / HCOOH / 3 h / Heating

3: 92 percent / aq. HCl / ethanol / 1.5 h / Heating

5: 80 percent / isoamyl nitrite / ethanol; HCl / 1.) 0 deg C, 30 min, 2.) 25 deg C, 16 h

6: 76 percent / acetic anhydride / 1 h / 140 °C

7: SnCl₂*2H₂O, 12N HCl / H₂O / 1.) 0 deg C, 2 h, 2.) 25 deg C, 16 h

8: KOH / H₂O; ethanol / 2 h / Heating

9: 85 percent / Na / ethanol / 3 h / Heating

10: 80 percent / Et₄N⁽¹⁺⁾Cl^(1-), PhNEt₂,POCl₃ / acetonitrile / 4 h / 100 °C

11: 53 percent / Na / NH₃ / 2.5 h / -75 °C

12: 11 percent / 810 - 850 °C / 0 Torr

With hydrogenchloride; potassium hydroxide; formic acid; tetraethylammonium chloride; ammonia; hydrogen; sodium; acetic anhydride; N,N-diethylaniline; tin(ll) chloride; trichlorophosphate; isopentyl nitrite; nickel; In hydrogenchloride; ammonium hydroxide; ethanol; water; N,N-dimethyl-formamide; acetonitrile;
DOI:10.1021/jo00214a011