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Home > Encyclopedia > 5-FORMYL-2-THIOPHENECARBOXYLICACID

5-FORMYL-2-THIOPHENECARBOXYLICACID

5-FORMYL-2-THIOPHENECARBOXYLICACID structure

5-FORMYL-2-THIOPHENECARBOXYLICACID 

structure
  • CAS No:

    4565-31-5

  • Formula:

    C6H4O3S

  • Chemical Name:

    5-FORMYL-2-THIOPHENECARBOXYLICACID

  • 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

Description

Bright red solid

5-FORMYL-2-THIOPHENECARBOXYLICACID Basic Attributes

156.16

155.988113

DTXSID90355995

2934999090

Characteristics

82.6

1.3

1.5±0.1 g/cm3

169 °C

371.4°C at 760 mmHg

178.4±23.7 °C

1.666

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

Methods of 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%.

Uses

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

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