5-FORMYL-2-THIOPHENECARBOXYLICACID
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5-FORMYL-2-THIOPHENECARBOXYLICACID
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CAS No:
4565-31-5
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Formula:
C6H4O3S
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Chemical Name:
5-FORMYL-2-THIOPHENECARBOXYLICACID
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Synonyms:
AKOSMSC-0225;AURORAKA-6755;5-FORMYLTHENOICACID;5-FORMYL-2-THIOPHENECARBOXYLICACID;5-FORMYL-THIOPHEN-2-CARBOXYLICACID;5-FORMYL-THIOPHENE-2-CARBOXYLICACID;5-Formyl-2-thiophenecarboxylicacid,98%;5-ForMyl-thiophene-2-carboxylicacidaMide;5-Carboxythiophene-2-carboxaldehyde,2-Carboxy-5-formylthiophene,5-Formyl-2-thenoicacid
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CAS No:
Safety Information
R36/37/38
S26-S36
Xi: Irritant;
P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, P501
H315
|Warning|H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]|P264, P280, P305+P351+P338, and P337+P313|Aggregated GHS information provided by 43 companies from 5 notifications to the ECHA C&L Inventory.
5-FORMYL-2-THIOPHENECARBOXYLICACID Use and Manufacturing
The compound 25 (2 g, 12.8 mmol) was dissolved in 200 ml of mixture solvent (THF: H20=1 : 1) and HYDROLYZATION was conducted by adding KOH (1.1 g, 19.2 MMOL). After the completion of the reaction, THF was removed under reduced pressure. 4-phenylporphyrin (2g, 10.25mmol), 5-formylthiophene-2-carboxylic acid (2.08 g, 13.33 mmol), HATU (5.85 g, 15.38 mmol) was dissolved in DMF (30 mL).Stir at room temperature for 20 min, N, N-Diisopropylethylamine (6.62 g, 51.26 mmol) was added and the mixture was reacted at room temperature for 3 hours.Pour the reaction solution into water, stir for 10 minutes, and filter by suction.Made a brownish yellow solid 2.51g, The yield was 73.4%.
5-Formyl-2-thiophenecarboxylic acid is a thiophene derivative as immunomodulating agents useful in the treatment of autoimmune diseases.
Computed Properties
Molecular Weight:156.16
XLogP3:1.3
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:2
Exact Mass:155.98811516
Monoisotopic Mass:155.98811516
Topological Polar Surface Area:82.6
Heavy Atom Count:10
Complexity:157
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
5-FORMYL-2-THIOPHENECARBOXYLICACID
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