| Identification | Back Directory | [Name]
4-CHLORO-BENZO[B]THIOPHENE-2-CARBOXYLIC ACID METHYL ESTER | [CAS]
35212-95-4 | [Synonyms]
Trimethadione Impurity 7
methyl 4-chlorobenzothiophene-2-carboxylate
4-chloro-2-benzothiophenecarboxylic acid methyl ester
4-chlorobenzothiophene-2-carboxylic acid methyl ester
Benzo[b]thiophene-2-carboxylicacid, 4-chloro-, methyl ester | [EINECS(EC#)]
218-944-9 | [Molecular Formula]
C10H7ClO2S | [MDL Number]
MFCD07371546 | [MOL File]
35212-95-4.mol | [Molecular Weight]
226.68 |
| Chemical Properties | Back Directory | [Melting point ]
95-97° | [Boiling point ]
338.7±22.0 °C(Predicted) | [density ]
1.391±0.06 g/cm3(Predicted) | [storage temp. ]
2-8°C | [Appearance]
White to off-white Solid | [InChI]
InChI=1S/C10H7ClO2S/c1-13-10(12)9-5-6-7(11)3-2-4-8(6)14-9/h2-5H,1H3 | [InChIKey]
CKXPDFHEOUVFRD-UHFFFAOYSA-N | [SMILES]
C12=CC=CC(Cl)=C1C=C(C(OC)=O)S2 |
| Hazard Information | Back Directory | [Uses]
Methyl 4-Chlorobenzo[b]thiophene-2-carboxylate is a reactant in the synthesis of novel tachykinin NK2 receptor antagonists. | [References]
[1] Patent: WO2016/191366, 2016, A1. Location in patent: Page/Page column 34; 35
[2] Journal of Medicinal Chemistry, 2007, vol. 50, # 20, p. 4793 - 4807
[3] Bioorganic and Medicinal Chemistry Letters, 2005, vol. 15, # 12, p. 2998 - 3001 |
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