2-butyl-6,6-dimethyl-3,5,6,8-tetrahydro-4H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-one

Base Information

Chemical Name:2-butyl-6,6-dimethyl-3,5,6,8-tetrahydro-4H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-one
CAS No.:91403-88-2
Molecular Formula:C₁₅H₂₀N₂O₂S
Molecular Weight:292.402
Hs Code.:
DSSTox Substance ID:DTXSID101321383
ChEMBL ID:CHEMBL1881391
Mol file:91403-88-2.mol

Synonyms:2-butyl-6,6-dimethyl-3,5,6,8-tetrahydro-4H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-one;91403-88-2;5-butyl-12,12-dimethyl-11-oxa-8-thia-4,6-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),5-trien-3-one;Oprea1_357204;MLS001179391;CHEMBL1881391;DTXSID101321383;HMS2789P16;STK831186;STK858503;AKOS001650417;AKOS005632634;CCG-109592;SMR000476261;EU-0008994;VU0060891-1;AG-690/11571016;SR-01000470388;SR-01000470388-1;2-butyl-6,6-dimethyl-5,8-dihydro-6H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-ol

Suppliers and Price of 2-butyl-6,6-dimethyl-3,5,6,8-tetrahydro-4H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-one

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
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price

American Custom Chemicals Corporation
2-BUTYL-6,6-DIMETHYL-3,5,6,8-TETRAHYDRO-4H-PYRANO[4',3':4,5]THIENO[2,3-D]PYRIMIDIN-4-ONE 95.00%
5MG
$ 497.10

Total 0 raw suppliers

Chemical Property of 2-butyl-6,6-dimethyl-3,5,6,8-tetrahydro-4H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-one

Chemical Property:

XLogP3:2.4
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:3
Exact Mass:292.12454906
Heavy Atom Count:20
Complexity:436

Purity/Quality:: 2-BUTYL-6,6-DIMETHYL-3,5,6,8-TETRAHYDRO-4H-PYRANO[4',3':4,5]THIENO[2,3-D]PYRIMIDIN-4-ONE 95.00% ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:

Useful:

Canonical SMILES:CCCCC1=NC2=C(C3=C(S2)COC(C3)(C)C)C(=O)N1

Technology Process of 2-butyl-6,6-dimethyl-3,5,6,8-tetrahydro-4H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-one

There total 4 articles about 2-butyl-6,6-dimethyl-3,5,6,8-tetrahydro-4H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-one 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: 51.5%

: 91403-82-6
5,5-Dimethyl-2-pentanoylamino-4,7-dihydro-5H-thieno[2,3-c]pyran-3-carboxylic acid ethyl ester

: 91403-88-2
2-Butyl-6,6-dimethyl-3,5,6,8-tetrahydro-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-one

Guidance literature:: With ammonia; In methanol; at 100 - 120 ℃; for 18h;
DOI:10.1007/BF00760708

Reference yield:

: 99762-65-9
3-Amino-2-butyl-6,6-dimethyl-3,5,6,8-tetrahydro-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-one

: 91403-88-2
2-Butyl-6,6-dimethyl-3,5,6,8-tetrahydro-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-one

Guidance literature:: With sodium nitrite; In acetic acid; at 20 ℃;
DOI:10.1007/BF02252109

Reference yield:

: 64792-51-4
ethyl 2-amino-5,5-dimethyl-4,7-dihydro-5H-thieno[2,3-c]pyran-3-carboxylate

: 91403-88-2
2-Butyl-6,6-dimethyl-3,5,6,8-tetrahydro-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-one

Guidance literature:: Multi-step reaction with 3 steps

1: dioxane / Heating

2: hydrazine hydrate / ethanol / Heating

3: NaNO₂ / acetic acid / 20 °C

With hydrazine hydrate; sodium nitrite; In 1,4-dioxane; ethanol; acetic acid; 1: Acylation / 2: Condensation / 3: deamination;
DOI:10.1007/BF02252109