86695-06-9

86695-06-9 - Names and Identifiers

Name	(R)-(+)-2-Amino-3-methyl-1,1-diphenyl-1-butanol
Synonyms	-1,1-diphenyL 2-AMINO-3-METHYL-1,1-DIPHENYLBUTAN-1-OL R-2-amino-3-methyl-1,1-diphenylbutan-1-ol (R)-2-Amino-3-methyl-1,1-diphenyl-1-butanol (2R)-2-amino-3-methyl-1,1-diphenylbutan-1-ol (R)-(+)-2-AMINO-3-METHYL-1,1-DIPHENYL-1-BUTANOL (R)-(+)-2-Amino-3-methyl-1,1-diphenyl-1-butanol Benzenemethanol, α-[(1R)-1-amino-2-methylpropyl]-α-phenyl-
CAS	86695-06-9
InChI	InChI=1/C17H21NO/c1-13(2)16(18)17(19,14-9-5-3-6-10-14)15-11-7-4-8-12-15/h3-13,16,19H,18H2,1-2H3/t16-/m1/s1

86695-06-9 - Physico-chemical Properties

Molecular Formula	C17H21NO
Molar Mass	255.36
Density	1.074±0.06 g/cm3(Predicted)
Melting Point	95-99°C(lit.)
Boling Point	424.7±40.0 °C(Predicted)
Flash Point	210.6°C
Vapor Presure	5.73E-08mmHg at 25°C
pKa	11.20±0.50(Predicted)
Storage Condition	Keep in dark place,Sealed in dry,Room Temperature
Refractive Index	1.576
MDL	MFCD01318247

86695-06-9 - Risk and Safety

Hazard Symbols	Xi - Irritant
Risk Codes	36/37/38 - Irritating to eyes, respiratory system and skin.
Safety Description	S26 - In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. S36 - Wear suitable protective clothing.
WGK Germany	3
HS Code	29062990

86695-06-9 - Reference Information

Application

(R)-( )-2-amino -3-methyl -1,1-diphenyl -1-butanol can be used as a pharmaceutical synthesis intermediate, can be prepared from (D)-valine as the reaction raw material, can also be Boc-D-valine methyl ester as the reaction raw material, mainly used in laboratory research and development process and chemical production process.

preparation

1)D-valine methyl ester: 1.245mL of SOCl2(2.03g,17.07mmol,1.0eq) dissolved in 80ml of MeOH absorbent solution under argon, gas generation was observed, the solution was cooled to 0 °c and 2.0g of (D)-valine (17.07mmol,1.0eq) solids and the reaction mixture was then heated at reflux for 4 hours. Subsequently, the solvent was removed directly from the reaction vessel under vacuum and 2.583g of white (D)-valine methyl ester (15.4mmol,Ca.90%) was isolated without further purification. 2)(2R)-2-amino -3-methyl -1, 1-diphenylbutan-1-ol: magnesium (77.04mmol,5.0 equiv) with stirring with one grain of iodine, then covered slightly with calcium, 20 ml of absorbing Et2O was added through a dropping funnel, and 12.10 ml of bromobenzene (g,77.04mmol,5.0 EQ). The solution was slightly boiled, the reaction mixture was stirred for another 40 minutes until the Mg was completely dissolved, and 2.583g of methyl (D)-valine (15.41mmol,1.0eq) was added in small portions. The reaction was stirred for an additional 19 hours and then quenched by addition of NH4Cl (aq). The aqueous phase was extracted 3 times with Et2O and 2 times with CH2Cl2, the combined organic phases were dried over Na2SO4 and the solvent was removed under vacuum to give 1.997g(R)- ()-2-amino -3-methyl -1, 1-diphenyl-1-butanol (7.8mmol, about 51%).

Last Update：2024-04-09 21:11:58