| Identification | Back Directory | [Name]
4-Amino-5-chloro-2,3-dihydro-7-benzofurancarboxylic acid | [CAS]
123654-26-2 | [Synonyms]
Prucalopride int
Prucalopride Impurity A
4-Amino-5-chlorocoumaran-7-carboxylic Acid
4-Amino-5-chloro-2,3-dihydro-7-benzofurancarboxylic acid
4-aMino-5-chloro-2,3-dihydrobenzofuran-7-carboxylic acid
4-AMino-5-chloro-2,3-dihydro-7-benzofurane karboxylic acid
7-Benzofurancarboxylic acid, 4-amino-5-chloro-2,3-dihydro-
4-amino-5-chloro-2,3-dihydro-1-benzofuran-7-carboxylic acid
4-Amino-5-chloro-2,3-dihydrobenzo[b]furan-7-carboxylic acid
4-Amino-5-chloro-2,3-dihydrobenzofuran-7-carboxylic Acid >
4-Amino-5-chloro-2,3-dihydro-7-benzofurancarboxylic acid ISO 9001：2015 REACH | [EINECS(EC#)]
1592732-453-0 | [Molecular Formula]
C9H8ClNO3 | [MDL Number]
MFCD12923204 | [MOL File]
123654-26-2.mol | [Molecular Weight]
213.618 |
| Chemical Properties | Back Directory | [Melting point ]
242 °C(dec.) | [Boiling point ]
406.5±45.0 °C(Predicted) | [density ]
1.566 | [storage temp. ]
Keep in dark place,Sealed in dry,2-8°C | [solubility ]
DMSO (Slightly), Methanol (Slightly, Heated) | [form ]
Solid | [pka]
4.45±0.20(Predicted) | [color ]
Light Brown | [InChI]
InChI=1S/C9H8ClNO3/c10-6-3-5(9(12)13)8-4(7(6)11)1-2-14-8/h3H,1-2,11H2,(H,12,13) | [InChIKey]
KRMUVKSAOVLXLF-UHFFFAOYSA-N | [SMILES]
O1C2=C(C(O)=O)C=C(Cl)C(N)=C2CC1 |
| Hazard Information | Back Directory | [Uses]
4-Amino-5-chloro-2,3-dihydro-7-benzofurancarboxylic Acid, can be used as an intermediate for the synthesis of Prucalopride (P838950), a selective 5-HT4 receptor agonist used effective for chronic constipation. | [Synthesis]
Firstly, adding methyl 4-(acetyl amino)-2-hydroxy-3-(2-hydroxy ethyl) benzoate into an organic solvent, adding triphenylphosphine and azo dioctyl phthalate diethyl ester, performing cyclization to obtain a methyl 4-acetamido-2,3-dihydro benzofuran-7-formate rough product, directly chloridizing the rough product by using N-chloro succinimide to obtain a rough product methyl 4-acetamide amino-5-chloro-7-benzofuran formate, and performing hydrolysis and purification to obtain a 4-amino-5-chloro-2,3-dihydrobenzofuran-7-carboxylic acid pure product. |
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