ChemicalBook > CAS DataBase List > 1-bromo-4-phenylbutan-2-one
1-bromo-4-phenylbutan-2-one
- Product Name
- 1-bromo-4-phenylbutan-2-one
- CAS No.
- 31984-10-8
- Chemical Name
- 1-bromo-4-phenylbutan-2-one
- Synonyms
- 1-bromo-4-phenylbutan-2-one;1-Bromo-4-phenyl-2-Butanone;2-Butanone, 1-bromo-4-phenyl-;5-Piperazinecarboxamide,N,N-dimethyl-;2-Thiopheneaceticacid,10-bromo-α-oxo-,ethylester
- CBNumber
- CB02473806
- Molecular Formula
- C10H11BrO
- Formula Weight
- 227.1
- MOL File
- 31984-10-8.mol
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1-bromo-4-phenylbutan-2-one Property
- Melting point:
- 47-49 °C
- Boiling point:
- 290.1±15.0 °C(Predicted)
- Density
- 1.371±0.06 g/cm3(Predicted)
- storage temp.
- under inert gas (nitrogen or Argon) at 2-8°C
- Appearance
- White to off-white Solid
- InChI
- InChI=1S/C10H11BrO/c11-8-10(12)7-6-9-4-2-1-3-5-9/h1-5H,6-8H2
- InChIKey
- APAZZDBYJISGLX-UHFFFAOYSA-N
- SMILES
- C(Br)C(=O)CCC1=CC=CC=C1
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Safety
- HS Code
- 2914790090
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Hazard and Precautionary Statements (GHS)
- Symbol(GHS)
-
- Signal word
- Warning
- Hazard statements
-
H315Causes skin irritation
H319Causes serious eye irritation
H335May cause respiratory irritation
- Precautionary statements
-
P280Wear protective gloves/protective clothing/eye protection/face protection.
P301+P312IF SWALLOWED: call a POISON CENTER or doctor/physician IF you feel unwell.
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
- B293070
- Product name
- 1-Bromo-4-phenylbutan-2-one
- Packaging
- 250mg
- Price
- $310
- Updated
- 2021/12/16
Biosynth Carbosynth
- Product number
- FB146822
- Product name
- 1-Bromo-4-phenyl-2-butanone
- Packaging
- 1g
- Price
- $390
- Updated
- 2021/12/16
Matrix Scientific
- Product number
- 125519
- Product name
- 1-Bromo-4-phenylbutan-2-one
- Purity
- 97%
- Packaging
- 5g
- Price
- $448
- Updated
- 2021/12/16
Biosynth Carbosynth
- Product number
- FB146822
- Product name
- 1-Bromo-4-phenyl-2-butanone
- Packaging
- 50mg
- Price
- $55
- Updated
- 2021/12/16
Biosynth Carbosynth
- Product number
- FB146822
- Product name
- 1-Bromo-4-phenyl-2-butanone
- Packaging
- 100mg
- Price
- $86
- Updated
- 2021/12/16
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1-bromo-4-phenylbutan-2-one Chemical Properties,Usage,Production
Synthesis Reference(s)
The Journal of Organic Chemistry, 50, p. 5140, 1985 DOI: 10.1021/jo00225a032
Synthesis
2550-26-7
31984-10-8
General procedure for the synthesis of 1-bromo-4-phenylbutan-2-one from benzylacetone: Bromine (19 mL, 1.1 mmol) was slowly added to a stirred solution of 4-phenylbutan-2-one (50 g, 1 mmol) in methanol (350 mL) at 0 °C. The reaction mixture was stirred continuously at 15°C for 4 hours. Upon completion of the reaction, the reaction mixture was diluted with water (500 mL) and extracted with dichloromethane (2 x 500 mL). The organic layers were combined, washed with brine solution, dried over anhydrous Na2SO4 and concentrated under reduced pressure. The residue was dissolved in petroleum ether and crystallized in a refrigerator for 5 hours. The solid was collected by filtration to afford the target product 1-bromo-4-phenylbutan-2-one (72 g, 93.98%) as a white solid.1H NMR (300 MHz, CDCl3): δ 2.9 (q, 4H), 3.8 (s, 2H), 7.2 (m, 3H), 7.3 (m, 2H).13C NMR (100 MHz, CDCl3): δ 29.87,34.24,41.38,126.34 (2c), 128.28 (2c), 128.57,140.29,201.18.
References
[1] Journal of Chemical Sciences, 2015, vol. 127, # 11, p. 2023 - 2028
[2] Patent: KR2017/25682, 2017, A. Location in patent: Paragraph 0093; 0094-0097
[3] Patent: US2003/149294, 2003, A1
[4] Bioorganic and Medicinal Chemistry, 2007, vol. 15, # 9, p. 3225 - 3234
[5] Synthetic Communications, 2012, vol. 42, # 9, p. 1288 - 1305
1-bromo-4-phenylbutan-2-one Preparation Products And Raw materials
Raw materials
Preparation Products
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View Lastest Price from 1-bromo-4-phenylbutan-2-one manufacturers
ZHENGZHOU JIUYI TIME NEW MATERIALS CO,.LTD
- Product
- 1-Bromo-4-phenyl-2-butanone 31984-10-8
- Price
- US $1.10-6.60/kg
- Min. Order
- 1kg
- Purity
- 99%
- Supply Ability
- 100kg
- Release date
- 2025-06-23
Career Henan Chemical Co
- Product
- 1-Bromo-4-phenyl-2-Butanone 31984-10-8
- Price
- US $3.00/KG
- Min. Order
- 1KG
- Purity
- 98%
- Supply Ability
- 200KG
- Release date
- 2020-02-18