BenzeneMethanol, a-[[[2-(4-aMinophenyl)ethyl]aMino]Methyl]-, (aR)-
- Product Name
- BenzeneMethanol, a-[[[2-(4-aMinophenyl)ethyl]aMino]Methyl]-, (aR)-
- CAS No.
- 391901-45-4
- Chemical Name
- BenzeneMethanol, a-[[[2-(4-aMinophenyl)ethyl]aMino]Methyl]-, (aR)-
- Synonyms
- (R)-2-((4-AMinophenethyl)aMino)-1-phenylethanol;(R)-2-((4-aminophenethyl)amino)-1-phenylethan-1-ol;YM-208876;Mirabegron M16;MiraBegron impurity H;Mirabegron EP Impurity B;Mirabegron metabolite M16;Mirabegron Des-ATAA Impurity;2-(4-Nitophenyl) ethanamine hydrochloride;Mirabegron Impurity 20 (Mirabegron EP Impurity B)
- CBNumber
- CB42621166
- Molecular Formula
- C16H20N2O
- Formula Weight
- 256.34
- MOL File
- 391901-45-4.mol
BenzeneMethanol, a-[[[2-(4-aMinophenyl)ethyl]aMino]Methyl]-, (aR)- Property
- Melting point:
- 97-100°C
- Boiling point:
- 447.9±24.0 °C(Predicted)
- Density
- 1.137±0.06 g/cm3(Predicted)
- storage temp.
- Keep in dark place,Inert atmosphere,Room temperature
- solubility
- Chloroform (Slightly), DMSO (Sparingly), Methanol (Slightly)
- pka
- 13.98±0.20(Predicted)
- form
- Solid
- color
- Off-White to Light Beige
- InChI
- InChI=1/C16H20N2O/c17-15-8-6-13(7-9-15)10-11-18-12-16(19)14-4-2-1-3-5-14/h1-9,16,18-19H,10-12,17H2/t16-/s3
- InChIKey
- TUAHDMSPHZSMQN-QEIABERDNA-N
- SMILES
- [C@@H](O)(C1=CC=CC=C1)CNCCC1=CC=C(N)C=C1 |&1:0,r|
Hazard and Precautionary Statements (GHS)
- Symbol(GHS)
-
- Signal word
- Danger
- Hazard statements
-
H301Toxic if swalloed
H317May cause an allergic skin reaction
H361Suspected of damaging fertility or the unborn child
H373May cause damage to organs through prolonged or repeated exposure
H411Toxic to aquatic life with long lasting effects
- Precautionary statements
-
P201Obtain special instructions before use.
P202Do not handle until all safety precautions have been read and understood.
P260Do not breathe dust/fume/gas/mist/vapours/spray.
P261Avoid breathing dust/fume/gas/mist/vapours/spray.
P264Wash hands thoroughly after handling.
P264Wash skin thouroughly after handling.
P270Do not eat, drink or smoke when using this product.
P272Contaminated work clothing should not be allowed out of the workplace.
P280Wear protective gloves/protective clothing/eye protection/face protection.
P281Use personal protective equipment as required.
P301+P310IF SWALLOWED: Immediately call a POISON CENTER or doctor/physician.
P302+P352IF ON SKIN: wash with plenty of soap and water.
P308+P313IF exposed or concerned: Get medical advice/attention.
P314Get medical advice/attention if you feel unwell.
P321Specific treatment (see … on this label).
P330Rinse mouth.
P333+P313IF SKIN irritation or rash occurs: Get medical advice/attention.
P363Wash contaminated clothing before reuse.
P405Store locked up.
P501Dispose of contents/container to..…
N-Bromosuccinimide Price
- Product number
- A625970
- Product name
- (R)-2-((4-Aminophenethyl)amino)-1-phenylethanol
- Packaging
- 250mg
- Price
- $185
- Updated
- 2021/12/16
- Product number
- 9290BB
- Product name
- (R)-2-((4-Aminophenethyl)amino)-1-phenylethanol
- Packaging
- 250mg
- Price
- $68
- Updated
- 2021/12/16
- Product number
- FA75045
- Product name
- (aR)-a-[[[2-(4-Aminophenyl)ethyl]amino]methyl]-benzenemethanol
- Packaging
- 2g
- Price
- $72
- Updated
- 2021/12/16
- Product number
- 9290BB
- Product name
- (R)-2-((4-Aminophenethyl)amino)-1-phenylethanol
- Packaging
- 25g
- Price
- $230
- Updated
- 2021/12/16
- Product number
- FA75045
- Product name
- (aR)-a-[[[2-(4-Aminophenyl)ethyl]amino]methyl]-benzenemethanol
- Packaging
- 25g
- Price
- $350
- Updated
- 2021/12/16
BenzeneMethanol, a-[[[2-(4-aMinophenyl)ethyl]aMino]Methyl]-, (aR)- Chemical Properties,Usage,Production
Uses
(R)-2-((4-Aminophenethyl)amino)-1-phenylethanol is an intermediate in the synthesis of Mirabegron related compounds. irabegron is a potent bladder relaxant and reagent for diabetes remedy.
Synthesis
521284-21-9
391901-45-4
(R)-2-((4-nitrophenylethyl)amino)-1-phenylethanol hydrochloride (Compound I, 15 g, 0.0465 mol) was dissolved in 150 mL of methanol with stirring. Ammonium formate (14.6 g, 0.2325 mol) and 1.5 g of 10% palladium carbon catalyst were subsequently added. The reaction mixture was heated to 65 °C and kept at reflux for 5 hours. The reaction was monitored by thin layer chromatography (TLC, GF254 plate, unfolding agent ratio ethyl acetate:methanol = 5:1) until the fluorescent spots of compound I disappeared. Upon completion of the reaction, methanol was removed by concentration under reduced pressure, followed by the addition of water and ethyl acetate for extraction. The organic phase was evaporated under reduced pressure to remove ethyl acetate to give an off-white solid product (Compound II, 10.91 g) in 91.71% yield.
References
[1] Patent: CN105481705, 2016, A. Location in patent: Paragraph 0021; 0022; 0023
[2] Patent: WO2014/132270, 2014, A2. Location in patent: Page/Page column 19
BenzeneMethanol, a-[[[2-(4-aMinophenyl)ethyl]aMino]Methyl]-, (aR)- Preparation Products And Raw materials
Raw materials
Preparation Products
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View Lastest Price from BenzeneMethanol, a-[[[2-(4-aMinophenyl)ethyl]aMino]Methyl]-, (aR)- manufacturers
- Product
- BenzeneMethanol, a-[[[2-(4-aMinophenyl)ethyl]aMino]Methyl]-, (aR)- 391901-45-4
- Price
- US $15.00-10.00/KG
- Min. Order
- 1KG
- Purity
- 99%+ HPLC
- Supply Ability
- Monthly supply of 1 ton
- Release date
- 2021-07-10
- Product
- BenzeneMethanol, a-[[[2-(4-aMinophenyl)ethyl]aMino]Methyl]-, (aR)- 391901-45-4
- Price
- US $15.00-10.00/KG
- Min. Order
- 1KG
- Purity
- 99%+ HPLC
- Supply Ability
- Monthly supply of 1 ton
- Release date
- 2021-07-08
- Product
- BenzeneMethanol, a-[[[2-(4-aMinophenyl)ethyl]aMino]Methyl]-, (aR)- 391901-45-4
- Price
- US $10.00/KG
- Min. Order
- 100G
- Purity
- 98
- Supply Ability
- 100KG
- Release date
- 2018-07-24