Product Name

  • Name

    A 769662

  • EINECS
  • CAS No. 844499-71-4
  • Density 1.56 g/cm3
  • Solubility
  • Melting Point
  • Formula C20H12N2O3S
  • Boiling Point 556.6 °C at 760 mmHg
  • Molecular Weight 360.393
  • Flash Point 290.4 °C
  • Transport Information
  • Appearance
  • Safety 24/25
  • Risk Codes
  • Molecular Structure Molecular Structure of 844499-71-4 (A 769662)
  • Hazard Symbols
  • Synonyms 4-Hydroxy-3-(2'-hydroxy-1,1'-biphenyl-4-yl)-6-oxo-6,7-dihydrothieno[2,3-b]pyridine-5-carbonitrile;A 769662;
  • PSA 125.35000
  • LogP 4.20648

Synthetic route

4-hydroxy-3-(2′-hydroxy-[1,1′-biphenyl]-4-yl)-6-oxo-6,7-dihydrothieno[2,3-b]pyridine-5-carbonitrile
844499-71-4

4-hydroxy-3-(2′-hydroxy-[1,1′-biphenyl]-4-yl)-6-oxo-6,7-dihydrothieno[2,3-b]pyridine-5-carbonitrile

methylmagnesium bromide
75-16-1

methylmagnesium bromide

5-ethanimidoyl-4-hydroxy-3-(2'-hydroxy-1,1'-biphenyl-4-yl)thieno[2,3-b]pyridin-6(7H)-one

5-ethanimidoyl-4-hydroxy-3-(2'-hydroxy-1,1'-biphenyl-4-yl)thieno[2,3-b]pyridin-6(7H)-one

Conditions
ConditionsYield
In tetrahydrofuran at 0 - 20℃; for 4h;
4-hydroxy-3-(2′-hydroxy-[1,1′-biphenyl]-4-yl)-6-oxo-6,7-dihydrothieno[2,3-b]pyridine-5-carbonitrile
844499-71-4

4-hydroxy-3-(2′-hydroxy-[1,1′-biphenyl]-4-yl)-6-oxo-6,7-dihydrothieno[2,3-b]pyridine-5-carbonitrile

4-hydroxy-3-(2'-hydroxy-1,1'-biphenyl-4-yl)thieno[2,3-b]pyridin-6(7H)-one

4-hydroxy-3-(2'-hydroxy-1,1'-biphenyl-4-yl)thieno[2,3-b]pyridin-6(7H)-one

Conditions
ConditionsYield
Stage #1: 4-hydroxy-3-(2′-hydroxy-[1,1′-biphenyl]-4-yl)-6-oxo-6,7-dihydrothieno[2,3-b]pyridine-5-carbonitrile With sulfuric acid for 16h; Heating / reflux;
Stage #2: With sodium hydroxide pH=2;
4-hydroxy-3-(2′-hydroxy-[1,1′-biphenyl]-4-yl)-6-oxo-6,7-dihydrothieno[2,3-b]pyridine-5-carbonitrile
844499-71-4

4-hydroxy-3-(2′-hydroxy-[1,1′-biphenyl]-4-yl)-6-oxo-6,7-dihydrothieno[2,3-b]pyridine-5-carbonitrile

3-[4-(2-hydroxyphenyl)-phenyl]-4-hydroxy-5-iminomethyl-6-oxo-7H-thieno[2,3-b]-pyridine-6-one
844501-29-7

3-[4-(2-hydroxyphenyl)-phenyl]-4-hydroxy-5-iminomethyl-6-oxo-7H-thieno[2,3-b]-pyridine-6-one

Conditions
ConditionsYield
aluminum nickel In formic acid for 24h; Heating / reflux;
4-hydroxy-3-(2′-hydroxy-[1,1′-biphenyl]-4-yl)-6-oxo-6,7-dihydrothieno[2,3-b]pyridine-5-carbonitrile
844499-71-4

4-hydroxy-3-(2′-hydroxy-[1,1′-biphenyl]-4-yl)-6-oxo-6,7-dihydrothieno[2,3-b]pyridine-5-carbonitrile

ethyl bromoacetate
105-36-2

ethyl bromoacetate

{[4'-(5-cyano-4-hydroxy-6-oxo-6,7-dihydrothieno[2,3-b]pyridin-3-yl)-1,1'-biphenyl-2-yl]oxy}acetic acid

{[4'-(5-cyano-4-hydroxy-6-oxo-6,7-dihydrothieno[2,3-b]pyridin-3-yl)-1,1'-biphenyl-2-yl]oxy}acetic acid

Conditions
ConditionsYield
Stage #1: 4-hydroxy-3-(2′-hydroxy-[1,1′-biphenyl]-4-yl)-6-oxo-6,7-dihydrothieno[2,3-b]pyridine-5-carbonitrile With tetra-(n-butyl)ammonium iodide; potassium carbonate In acetone at 20℃; for 0.5h;
Stage #2: ethyl bromoacetate In acetone at 20℃; for 16h;

A-769662 Specification

The 4-Hydroxy-3-(2'-hydroxy-1,1'-biphenyl-4-yl)-6-oxo-6,7-dihydrothieno[2,3-b]pyridine-5-carbonitrile, with the CAS registry number 844499-71-4, is also known as A-769662. It belongs to the product category of Signalling. This chemical's molecular formula is C20H12N2O3S and formula weight is 360.39. What's more, its systematic name is called 6-hydroxy-3-(2'-hydroxybiphenyl-4-yl)-4-oxo-4,7-dihydrothieno[2,3-b]pyridine-5-carbonitrile.

Physical properties of 4-Hydroxy-3-(2'-hydroxy-1,1'-biphenyl-4-yl)-6-oxo-6,7-dihydrothieno[2,3-b]pyridine-5-carbonitrile: (1)ACD/LogP: 3.93; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.89; (4)ACD/LogD (pH 7.4): 1.12; (5)ACD/BCF (pH 5.5): 51.91; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 297.7; (8)ACD/KOC (pH 7.4): 5.11; (9)#H bond acceptors: 5; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 4; (12)Index of Refraction: 1.781; (13)Molar Refractivity: 97 cm3; (14)Molar Volume: 230.9 cm3; (15)Surface Tension: 92.7 dyne/cm; (16)Density: 1.56 g/cm3; (17)Flash Point: 290.4 °C; (18)Enthalpy of Vaporization: 88.19 kJ/mol; (19)Boiling Point: 556.6 °C at 760 mmHg; (20)Vapour Pressure: 3.19E-13 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: N#C\C2=C(/O)Nc1scc(c1C2=O)c4ccc(c3ccccc3O)cc4
(2)InChI: InChI=1/C20H12N2O3S/c21-9-14-18(24)17-15(10-26-20(17)22-19(14)25)12-7-5-11(6-8-12)13-3-1-2-4-16(13)23/h1-8,10,23H,(H2,22,24,25)
(3)InChIKey: CTESJDQKVOEUOY-UHFFFAOYAJ

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