ChemicalBook--->CAS DataBase List--->1119280-68-0

1119280-68-0

1119280-68-0 Structure

1119280-68-0 Structure
IdentificationBack Directory
[Name]

2-Chlorothieno[3,2-d]pyrimidine
[CAS]

1119280-68-0
[Synonyms]

2-Chlorothieno[3,2-d]pyrimidine
Thieno[3,2-d]pyrimidine, 2-chloro-
2-Chlorothieno[3,2-d]pyrimidine ISO 9001:2015 REACH
[EINECS(EC#)]

200-589-5
[Molecular Formula]

C6H3ClN2S
[MDL Number]

MFCD12406127
[MOL File]

1119280-68-0.mol
[Molecular Weight]

170.62
Chemical PropertiesBack Directory
[Melting point ]

165-166℃
[density ]

1.531
[storage temp. ]

under inert gas (nitrogen or Argon) at 2-8°C
[form ]

solid
[pka]

-0.06±0.40(Predicted)
[Appearance]

White to off-white Solid
[InChI]

InChI=1S/C6H3ClN2S/c7-6-8-3-5-4(9-6)1-2-10-5/h1-3H
[InChIKey]

QKRVOGZPQVCVPZ-UHFFFAOYSA-N
[SMILES]

C1(Cl)=NC=C2SC=CC2=N1
Safety DataBack Directory
[HazardClass ]

IRRITANT
[HS Code ]

2934999090
Spectrum DetailBack Directory
[Spectrum Detail]

2-Chlorothieno[3,2-d]pyrimidine(1119280-68-0)1HNMR
2-Chlorothieno[3,2-d]pyrimidine(1119280-68-0)1HNMR
Hazard InformationBack Directory
[Synthesis]

2,4-Dichlorothieno[3,2-d]pyrimidine

16234-14-3

2-Chlorothieno[3,2-d]pyrimidine

1119280-68-0

GENERAL STEPS: 2,4-Dichlorothieno[3,2-d]pyrimidine (19 g, 58 mmol) was dissolved in a solvent mixture of ethanol (25 mL) and ethyl acetate (25 mL). To this solution was added sodium bicarbonate (1.1 g, 13.1 mmol) followed by 10% palladium carbon catalyst (0.206 g). The reaction mixture was stirred under hydrogen atmosphere for 5 h. The reaction progress was monitored by liquid chromatography-mass spectrometry (LC-MS) to confirm the formation of 2-chlorothieno[3,2-d]pyrimidine. Upon completion of the reaction, the mixture was filtered through diatomaceous earth to remove the catalyst and the filtrate was concentrated under reduced pressure to afford the off-white solid product 2-chlorothieno[3,2-d]pyrimidine (0.990 g, quantitative yield). The structure of the product was confirmed by 1H NMR (CDCl3): δ 9.17 (s, 1H), 8.16-8.12 (d, 1H), 7.55-7.51 (d, 1H).

[References]

[1] Patent: WO2011/79231, 2011, A1. Location in patent: Page/Page column 82
[2] Patent: WO2009/62258, 2009, A1. Location in patent: Page/Page column 91
[3] ACS Medicinal Chemistry Letters, 2011, vol. 2, # 2, p. 154 - 159
[4] Patent: WO2012/78859, 2012, A2. Location in patent: Page/Page column 59
[5] Bioorganic and Medicinal Chemistry, 2014, vol. 22, # 7, p. 2113 - 2122
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