Thieno(2,3-d)pyrimidine-1(2H)-acetic acid, 3,4-dihydro-5,6-dimethyl-2,4-dioxo-3-(phenylmethyl)-

Base Information

Chemical Name:Thieno(2,3-d)pyrimidine-1(2H)-acetic acid, 3,4-dihydro-5,6-dimethyl-2,4-dioxo-3-(phenylmethyl)-
CAS No.:203808-44-0
Molecular Formula:C17H16N2O4S
Molecular Weight:344.3849
Hs Code.:
DSSTox Substance ID:DTXSID20174318
Nikkaji Number:J976.054G
Wikidata:Q83044393

Synonyms:3-Benzyl-5,6-dimethylthieno(2,3-d)pyrimidin-2,4(1H,3H)dione-1-acetic acid;Thieno(2,3-d)pyrimidine-1(2H)-acetic acid, 3,4-dihydro-5,6-dimethyl-2,4-dioxo-3-(phenylmethyl)-;203808-44-0;DTXSID20174318;LS-152494;2,4-Dioxo-3-benzyl-5,6-dimethyl-1,2,3,4-tetrahydrothieno[2,3-d]pyrimidine-1-acetic acid

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

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Chemical Property of Thieno(2,3-d)pyrimidine-1(2H)-acetic acid, 3,4-dihydro-5,6-dimethyl-2,4-dioxo-3-(phenylmethyl)-

Chemical Property:

Vapor Pressure:4.35E-15mmHg at 25°C
Boiling Point:596.7°Cat760mmHg
Flash Point:314.7°C
Density:1.411g/cm³
XLogP3:2.7
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:4
Exact Mass:344.08307817
Heavy Atom Count:24
Complexity:535

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC1=C(SC2=C1C(=O)N(C(=O)N2CC(=O)O)CC3=CC=CC=C3)C

Technology Process of Thieno(2,3-d)pyrimidine-1(2H)-acetic acid, 3,4-dihydro-5,6-dimethyl-2,4-dioxo-3-(phenylmethyl)-

There total 5 articles about Thieno(2,3-d)pyrimidine-1(2H)-acetic acid, 3,4-dihydro-5,6-dimethyl-2,4-dioxo-3-(phenylmethyl)- 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: 81.0%

: 203808-42-8
(3-Benzyl-5,6-dimethyl-2,4-dioxo-3,4-dihydro-2H-thieno[2,3-d]pyrimidin-1-yl)-acetic acid ethyl ester

: 203808-44-0
(3-Benzyl-5,6-dimethyl-2,4-dioxo-3,4-dihydro-2H-thieno[2,3-d]pyrimidin-1-yl)-acetic acid

Guidance literature:: With potassium hydroxide; In ethanol; water; for 0.25h; Heating; acidified with 1 mol/l HCl;

Reference yield:

: 3173-56-6
benzyl isothiocyanate

: 203808-44-0
(3-Benzyl-5,6-dimethyl-2,4-dioxo-3,4-dihydro-2H-thieno[2,3-d]pyrimidin-1-yl)-acetic acid

Guidance literature:: Multi-step reaction with 4 steps

1: 81 percent / toluene / 8 h / Heating

2: 90 percent / KOH / ethanol; H₂O / 0.5 h / Heating; 2.) acidified with glacial acetic acid

3: 69 percent / NaH 80percent, dispersion in mineral oil / dimethylformamide / 1.) room temp. for 20 min; 2.) room temp. for 7 ds

4: 81 percent / KOH / ethanol; H₂O / 0.25 h / Heating; acidified with 1 mol/l HCl

With potassium hydroxide; dispersion in mineral oil; sodium hydride; In ethanol; water; N,N-dimethyl-formamide; toluene;

Reference yield:

: 4815-24-1
2-amino-4,5-dimethyl-3-thiophenecarboxylic acid ethyl ester

: 203808-44-0
(3-Benzyl-5,6-dimethyl-2,4-dioxo-3,4-dihydro-2H-thieno[2,3-d]pyrimidin-1-yl)-acetic acid

Guidance literature:: Multi-step reaction with 4 steps

1: 81 percent / toluene / 8 h / Heating

2: 90 percent / KOH / ethanol; H₂O / 0.5 h / Heating; 2.) acidified with glacial acetic acid

3: 69 percent / NaH 80percent, dispersion in mineral oil / dimethylformamide / 1.) room temp. for 20 min; 2.) room temp. for 7 ds

4: 81 percent / KOH / ethanol; H₂O / 0.25 h / Heating; acidified with 1 mol/l HCl

With potassium hydroxide; dispersion in mineral oil; sodium hydride; In ethanol; water; N,N-dimethyl-formamide; toluene;