3-amino-2-methyl-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one

Base Information

• Chemical Name: 3-amino-2-methyl-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one
• CAS No.: 43088-52-4
• Molecular Formula: C11H13N3OS
• Molecular Weight: 235.31
• Hs Code.: 2934999090
• DSSTox Substance ID: DTXSID80195685
• Wikidata: Q83068716
• Mol file: 43088-52-4.mol

Synonyms:43088-52-4;3-amino-2-methyl-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one;3-Amino-2-methyl-5,6,7,8-tetrahydro-3H-benzo[4,5]thieno[2,3-d]pyrimidin-4-one;BRN 5043162;3-amino-2-methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one;3-amino-2-methyl-5,6,7,8-tetrahydrobenzo[4,5]thieno[2,3-d]pyrimidin-4(3H)-one;Benzothieno(2,3-d)pyrimidin-4(3H)-one, 5,6,7,8-tetrahydro-3-amino-2-methyl-;5,6,7,8-Tetrahydro-3-amino-2-methylbenzothieno(2,3-d)pyrimidin-4(3H)-one;3-Amino-2-methyl-5,6,7,8-tetrahydro-[1]benzothieno[2,3-d]pyrimidin-4(3H)-one;Oprea1_435247;Oprea1_653649;SCHEMBL3754873;DTXSID80195685;HMS1765C12;MFCD00458476;STK282010;AKOS000122660;LS-01146;LS-41022;diethyl[(m-chloroanilino)methylene]malonate;CS-0282425;EN300-03604;AH-262/01716035;SR-01000398641;SR-01000398641-1;Z56823201;F0023-0122;3-amino-2-methyl-5,6,7,8-tetrahydro-1-benzothieno[2,3-d]pyrimidin-4(3H)-one;3-amino-2-methyl-5,6,7,8-tetrahydro-3 H-benzo[4,5]thieno[2,3-d]pyrimidin-4-one;4-amino-5-methyl-8-thia-4,6-diazatricyclo[7.4.0.0,2,7]trideca-1(9),2(7),5-trien-3-one;4-amino-5-methyl-8-thia-4,6-diazatricyclo[7.4.0.0?,?]trideca-1(9),2(7),5-trien-3-one;4-AMINO-5-METHYL-8-THIA-4,6-DIAZATRICYCLO[7.4.0.0(2),?]TRIDECA-1(9),2(7),5-TRIEN-3-ONE

Chemical Property of 3-amino-2-methyl-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one

Chemical Property:

• Vapor Pressure: 4.15E-09mmHg at 25°C
• Boiling Point: 472.8°C at 760 mmHg
• Flash Point: 239.7°C
• PSA: 89.15000
• Density: 1.59g/cm³
• LogP: 1.94020
• XLogP3: 1.4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 0
• Exact Mass: 235.07793322
• Heavy Atom Count: 16
• Complexity: 357

Purity/Quality:

98%Min ^*data from raw suppliers

3-Amino-2-methyl-5,6,7,8-tetrahydro-[1]benzothieno[2,3-d]pyrimidin-4(3H)-one ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CC1=NC2=C(C3=C(S2)CCCC3)C(=O)N1N

Technology Process of 3-amino-2-methyl-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one

There total 3 articles about 3-amino-2-methyl-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-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: 65.0%

ethyl 2-acetylamino-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate (5919-29-9) → 3-amino-2-methyl-5,6,7,8-tetrahydrobenzothieno<2,3-d>pyrimidin-4(3H)-one (43088-52-4)

Guidance literature:

With hydrazine hydrate; In ethanol; for 8h; Heating;

DOI:10.1016/0223-5234(88)90142-0

Reference yield:

ethyl 2-amino-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate (4506-71-2) → 3-amino-2-methyl-5,6,7,8-tetrahydrobenzothieno<2,3-d>pyrimidin-4(3H)-one (43088-52-4)

Guidance literature:

Multi-step reaction with 2 steps

1: 84.3 percent / zinc / 2 h / Heating

2: 45.45 percent / hydrazine hydrate / methanol / 8 h / Heating

With hydrazine hydrate; zinc; In methanol;

Reference yield:

cyclohexanone (108-94-1,11119-77-0,9003-41-2,9075-99-4) → 3-amino-2-methyl-5,6,7,8-tetrahydrobenzothieno<2,3-d>pyrimidin-4(3H)-one (43088-52-4)

Guidance literature:

Multi-step reaction with 2 steps

1: sulfur; morpholine / ethanol

2: hydrazine / ethanol; water / 130 °C

With morpholine; sulfur; hydrazine; In ethanol; water;

DOI:10.3390/ph15020170

upstream raw materials:

ethyl 2-acetylamino-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate

ethyl 2-amino-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate

cyclohexanone

Downstream raw materials:

N¹-(2-methyl-4-oxo-5,6,7,8-tetrahydrobenzothieno<2,3-d>pyrimidin-3-yl)-N²-4-chlorophenylthiourea

N¹-(2-methyl-4-oxo-5,6,7,8-tetrahydrobenzothieno<2,3-d>pyrimidin-3-yl)-N²-4-bromophenylthiourea

3-[(2-hydroxy-benzylidene)-amino]-2-methyl-5,6,7,8-tetrahydro-3H-benzo[4,5]thieno[2,3-d]pyrimidin-4-one

3-[4-Biphenyl-4-yl-3-(4-methoxy-phenyl)-3H-thiazol-(2Z)-ylideneamino]-2-methyl-5,6,7,8-tetrahydro-3H-benzo[4,5]thieno[2,3-d]pyrimidin-4-one

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