α-(p-Aminophenyl)butyric acid
- Product Name
- α-(p-Aminophenyl)butyric acid
- CAS No.
- 29644-97-1
- Chemical Name
- α-(p-Aminophenyl)butyric acid
- Synonyms
- YD201;NSC 27530;Aids019033;Aids-019033;Indobufen Impurity 7;Indobufen Impurity D;Indobufen Impurity 16;Indobufen impurities842;Indoibufen intermediate 1;α -(p-aMinophenyl)butyriacid
- CBNumber
- CB91451400
- Molecular Formula
- C10H13NO2
- Formula Weight
- 179.22
- MOL File
- 29644-97-1.mol
α-(p-Aminophenyl)butyric acid Property
- Melting point:
- 142-143℃
- Boiling point:
- 354.6±17.0 °C(Predicted)
- Density
- 1.171±0.06 g/cm3 (20 ºC 760 Torr)
- vapor pressure
- 13-18hPa at 20-25℃
- storage temp.
- Keep in dark place,Inert atmosphere,Room temperature
- pka
- 4.01±0.10(Predicted)
- form
- Solid:particulate/powder
- Appearance
- White to off-white Solid
- InChI
- InChI=1S/C10H13NO2/c1-2-9(10(12)13)7-3-5-8(11)6-4-7/h3-6,9H,2,11H2,1H3,(H,12,13)
- InChIKey
- WAPLXGPARWRGJO-UHFFFAOYSA-N
- SMILES
- C1(C=CC(N)=CC=1)C(CC)C(=O)O
- LogP
- -1.3 at 19.8℃ and pH7
- Surface tension
- 75.21mN/m at 1g/L and 20℃
Safety
- Toxicity
- mouse,LD50,intraperitoneal,1180mg/kg (1180mg/kg),Farmaco, Edizione Scientifica. Vol. 13, Pg. 286, 1958.
Hazard and Precautionary Statements (GHS)
- Symbol(GHS)
-
- Signal word
- Warning
- Hazard statements
-
H302Harmful if swallowed
H315Causes skin irritation
H319Causes serious eye irritation
H335May cause respiratory irritation
- Precautionary statements
-
P261Avoid breathing dust/fume/gas/mist/vapours/spray.
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
- A615540
- Product name
- 2-(4-Aminophenyl)butanoicacid
- Packaging
- 500mg
- Price
- $675
- Updated
- 2021/12/16
- Product number
- 3036AB
- Product name
- 2-(4-Aminophenyl)butanoicacid
- Packaging
- 1g
- Price
- $500
- Updated
- 2021/12/16
- Product number
- CHM0984997
- Product name
- 2-(4-AMINO-PHENYL)-BUTYRIC ACID
- Purity
- 95.00%
- Packaging
- 5MG
- Price
- $502.38
- Updated
- 2021/12/16
- Product number
- A155756
- Product name
- 2-(4-Aminophenyl)butanoicacid
- Purity
- 95%
- Packaging
- 100mg
- Price
- $29
- Updated
- 2021/12/16
- Product number
- A155756
- Product name
- 2-(4-Aminophenyl)butanoicacid
- Purity
- 95%
- Packaging
- 250mg
- Price
- $57
- Updated
- 2021/12/16
α-(p-Aminophenyl)butyric acid Chemical Properties,Usage,Production
Pharmaceutical Applications
α-(p-Aminophenyl)butyric acid can be used as a ligand for the development of GABA receptor modulators, which are crucial in the treatment of neurological disorders. Its structural similarity to GABA allows it to interact with GABA receptors, potentially modulating their activity and offering therapeutic benefits.
Synthesis
7463-53-8
29644-97-1
2-(4-Nitrophenyl)butyric acid (10.0 g, 47.8 mmol) and carbon-loaded palladium catalyst (0.25 g) were suspended in methanol (100 mL). The reaction mixture was stirred overnight at room temperature and 1 atm hydrogen atmosphere. Upon completion of the reaction, the catalyst was removed by filtration through a diatomaceous earth pad and the diatomaceous earth was washed with methanol (50 mL). The filtrates were combined and concentrated using a rotary evaporator. Water (200 mL) was added to the concentrate and recrystallized. The mixture was cooled in an ice bath to precipitate a pink solid product. The solid was collected by vacuum filtration and dried under vacuum to give 5.8 g of 2-(4-aminophenyl)butyric acid in 68% yield. The product was characterized by the following data: NMR (400 MHz, DMSO-d6) δ 11.88 (s, 1H, COOH), 6.73 (d, J = 8.4 Hz, 2H, ArH), 6.31 (d, J = 8.4 Hz, 2H, ArH), 4.77 (s, 2H, NH2), 2.98 (t, J = 7.5 Hz, 1H, CH). 1.68 (m, 1H, CH2), 1.39 (m, 1H, CH2), 0.62 (t, J = 7.3 Hz, 3H, CH3); MS (ESI) m/z 202.1 ([M+Na]+).
References
[1] Patent: WO2017/205451, 2017, A1. Location in patent: Paragraph 0293
[2] Bulletin de la Societe Chimique de France, 1927, vol. <4> 41, p. 451
[3] Patent: US5214191, 1993, A
[4] Patent: CN106631974, 2017, A. Location in patent: Paragraph 0028; 0029; 0031; 0032; 0033
α-(p-Aminophenyl)butyric acid Preparation Products And Raw materials
Raw materials
Preparation Products
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View Lastest Price from α-(p-Aminophenyl)butyric acid manufacturers
- Product
- Benzeneacetic acid,4-amino-a-ethyl- 29644-97-1
- Price
- US $22.00-88.00/kg
- Min. Order
- 1kg
- Purity
- 99%
- Supply Ability
- 50kg
- Release date
- 2025-06-25
- Product
- α-(p-Aminophenyl)butyric acid 29644-97-1
- Price
- US $0.00-0.00/KG
- Min. Order
- 1KG
- Purity
- 98%
- Supply Ability
- 1ton
- Release date
- 2022-10-09
- Product
- Benzeneacetic acid,4-amino-a-ethyl- 29644-97-1
- Price
- US $0.00-0.00/KG
- Min. Order
- 1KG
- Purity
- 99.0%
- Supply Ability
- 10000KGS
- Release date
- 2025-04-02