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
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
Safety
- HS Code
- 2926907090
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.
N-Bromosuccinimide Price
- Product number
- H005085
- Product name
- 4''-Hydroxy-3''-iodobiphenyl-4-carbonitrile(TechnicalGrade;containsDiiodide(H005080))
- Packaging
- 1g
- Price
- $135
- Updated
- 2021/12/16
- Product number
- 087260
- Product name
- 4-(4-Hydroxy-3-iodophenyl)benzonitrile
- Purity
- >97%
- Packaging
- 500mg
- Price
- $390
- Updated
- 2021/12/16
- Product number
- 087260
- Product name
- 4-(4-Hydroxy-3-iodophenyl)benzonitrile
- Purity
- >97%
- Packaging
- 1g
- Price
- $487
- Updated
- 2021/12/16
- Product number
- 6338AB
- Product name
- 4'-Hydroxy-3'-iodo-biphenyl-4-carbonitrile
- Packaging
- 5g
- Price
- $540
- Updated
- 2021/12/16
- Product number
- 6338AB
- Product name
- 4'-Hydroxy-3'-iodo-biphenyl-4-carbonitrile
- Packaging
- 25g
- Price
- $1620
- Updated
- 2021/12/16
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
- 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