ChemicalBook > CAS DataBase List > 4'-HYDROXY-3'-IODO-BIPHENYL-4-CARBONITRILE

4'-HYDROXY-3'-IODO-BIPHENYL-4-CARBONITRILE

Product Name: 4'-HYDROXY-3'-IODO-BIPHENYL-4-CARBONITRILE
CAS No.: 460746-47-8
Chemical Name: 4'-HYDROXY-3'-IODO-BIPHENYL-4-CARBONITRILE
Synonyms: contains Diiodide (H005080));4-(4-Hydroxy-3-iodophenyl)benzonitrile;4'-Hydroxy-3'-iodo-biphenyl-5-carbonitrile;4'-HYDROXY-3'-IODO-BIPHENYL-4-CARBONITRILE;4'-Hydroxy-3'-iodo-biphenyl-4-carbonitrile;'-Hydroxy-3'-iodo[1,1'-biphenyl]-4-carbonitrile;4'-Hydroxy-3'-iodo[1,1'-biphenyl]-4-carbonitrile;[1,1'-Biphenyl]-4-carbonitrile, 4'-hydroxy-3'-iodo-;4'-Hydroxy-3'-iodobiphenyl-4-carbonitrile (Technical Grade;4′-Hydroxy-3′-iodo-biphenyl-4-carbonitrile, CAS 460746-47-8
CBNumber: CB11118510
Molecular Formula: C13H8INO
Formula Weight: 321.11
MOL File: 460746-47-8.mol

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4'-HYDROXY-3'-IODO-BIPHENYL-4-CARBONITRILE Property

Melting point:: 166-167℃
Boiling point:: 392.9±37.0 °C(Predicted)
Density: 1.81
storage temp.: 2-8°C(protect from light)
pka: 8.03±0.31(Predicted)
InChI: InChI=1S/C13H8INO/c14-12-7-11(5-6-13(12)16)10-3-1-9(8-15)2-4-10/h1-7,16H
InChIKey: GGJLASJZXUIMAG-UHFFFAOYSA-N
SMILES: C1(C2=CC=C(O)C(I)=C2)=CC=C(C#N)C=C1

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Safety

HS Code: 2926907090

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Hazard and Precautionary Statements (GHS)

Symbol(GHS)

Signal word

Warning

Hazard statements

H302Harmful if swallowed

Precautionary statements

P280Wear protective gloves/protective clothing/eye protection/face protection.

P305+P351+P338IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing.

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N-Bromosuccinimide Price

TRC

Product number: H005085
Product name: 4''-Hydroxy-3''-iodobiphenyl-4-carbonitrile(TechnicalGrade;containsDiiodide(H005080))
Packaging: 1g
Price: $135
Updated: 2021/12/16

Matrix Scientific

Product number: 087260
Product name: 4-(4-Hydroxy-3-iodophenyl)benzonitrile
Purity: >97%
Packaging: 500mg
Price: $390
Updated: 2021/12/16

Matrix Scientific

Product number: 087260
Product name: 4-(4-Hydroxy-3-iodophenyl)benzonitrile
Purity: >97%
Packaging: 1g
Price: $487
Updated: 2021/12/16

AK Scientific

Product number: 6338AB
Product name: 4'-Hydroxy-3'-iodo-biphenyl-4-carbonitrile
Packaging: 5g
Price: $540
Updated: 2021/12/16

AK Scientific

Product number: 6338AB
Product name: 4'-Hydroxy-3'-iodo-biphenyl-4-carbonitrile
Packaging: 25g
Price: $1620
Updated: 2021/12/16

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4'-HYDROXY-3'-IODO-BIPHENYL-4-CARBONITRILE Chemical Properties,Usage,Production

Uses

4''-Hydroxy-3''-iodobiphenyl-4-carbonitrile is the major component of the byproduct in the synthesis of 4''-Hydroxy-3'',5''-diiodo-[1,1''-biphenyl]-4-carbonitrile (H005080), which is a useful building block compound, and has been used in the preparation of plasminogen activator inhibitor antagonists.

Synthesis

19812-93-2

460746-47-8

4'-Hydroxy-4'-cyanobiphenyl (6.00 g, 30.8 mmol) was used as a raw material, which was dissolved in methanol (90 mL) at 0 °C, and sodium iodide (4.61 g, 30.8 mmol) and sodium hydroxide (1.23 g, 30.8 mmol) were added sequentially. Subsequently, aqueous sodium hypochlorite (47 mL, 5.25% Clorox, 2.29 g, 30.8 mmol) was slowly added at 45 °C. The reaction mixture was stirred at 0 °C for 1 h and then gradually warmed up to room temperature. The reaction mixture was diluted with sodium thiosulfate solution (10 mL) and water (80 mL) and the pH was adjusted to 7 by addition of sodium dihydrogen phosphate. the mixture was extracted with dichloromethane (2 x 90 mL), the organic phases were combined, dried over anhydrous sodium sulfate, filtered and concentrated under reduced pressure to give a white powder. The crude product was crystallized by dichloroethane/hexane and purified by chromatography on a silica gel column with dichloromethane to give 4'-hydroxy-3'-iodobiphenyl-4-carbonitrile (5.19 g, 53% yield). Mass spectrum (DCI) m/z 339 [M + NH4]+.

References

[1] Organic Process Research and Development, 2005, vol. 9, # 1, p. 45 - 50
[2] Bioorganic and Medicinal Chemistry Letters, 2004, vol. 14, # 3, p. 689 - 693
[3] Journal of Medicinal Chemistry, 2005, vol. 48, # 1, p. 38 - 55
[4] Patent: US2003/153548, 2003, A1
[5] Patent: US2003/134835, 2003, A1

4'-HYDROXY-3'-IODO-BIPHENYL-4-CARBONITRILE Preparation Products And Raw materials

Raw materials

Preparation Products

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View Lastest Price from 4'-HYDROXY-3'-IODO-BIPHENYL-4-CARBONITRILE manufacturers

Shanghai Rlavie Technology Co ltd

Product: 4-(4-hydroxy-3-iodophenyl)benzonitrile 460746-47-8
Price: US $0.00-0.00/kg
Min. Order: 0.0001kg
Purity: 98%min
Supply Ability: 100kgs/month
Release date: 2022-05-10

460746-47-8, 4'-HYDROXY-3'-IODO-BIPHENYL-4-CARBONITRILERelated Search:

3-IODO-BIPHENYL 4-HYDROXY-3-IODOBIPHENYL 95 2-(BENZOFURAN-2-YL)ETHANOL 4'-HYDROXY-3'-IODO-BIPHENYL-4-CARBONITRILE

'-Hydroxy-3'-iodo[1,1'-biphenyl]-4-carbonitrile

4-(4-Hydroxy-3-iodophenyl)benzonitrile

[1,1'-Biphenyl]-4-carbonitrile, 4'-hydroxy-3'-iodo-

contains Diiodide (H005080))

4'-Hydroxy-3'-iodobiphenyl-4-carbonitrile (Technical Grade

4'-Hydroxy-3'-iodo-biphenyl-5-carbonitrile

4'-Hydroxy-3'-iodo[1,1'-biphenyl]-4-carbonitrile

4'-Hydroxy-3'-iodo-biphenyl-4-carbonitrile

4'-HYDROXY-3'-IODO-BIPHENYL-4-CARBONITRILE

4′-Hydroxy-3′-iodo-biphenyl-4-carbonitrile, CAS 460746-47-8

460746-47-8

C13H8INO