low price ISO factory high purity (S)-Diphenylhydroxymethyl CAS NO.112068-01-6

1.Introduction of 112068-01-6

(S)-(-)-alpha,alpha-diphenyl-2-pyrrolidinemethanol has the systematic name of diphenyl[(2S)-2-pyrrolidinyl]methanol. And its CAS registry number is 112068-01-6. The off-white to white powder substance has wide applications as chiral, chiral reagent, chiral reagents, benzenes, asymmetric synthesis, chiral building blocks, simple alcohols (chiral), synthetic organic chemistry, chiral chemicals, chiral chemicals, peptide, pharmaceutical intermediate.

2.Properties of 112068-01-6

ACD/LogP: 3.082
# of Rule of 5 Violations: 0
ACD/LogD (pH 5.5): -0.01
ACD/LogD (pH 7.4): 0.39
ACD/BCF (pH 5.5): 1.00
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/KOC (pH 7.4): 2.30
#H bond acceptors: 2
#H bond donors: 2
#Freely Rotating Bonds: 4
Polar Surface Area: 32.26 ²
Index of Refraction: 1.597
Molar Refractivity: 76.467 cm³
Molar Volume: 224.504 cm³
Polarizability: 30.314 10-24cm³
Surface Tension: 46.7060012817383 dyne/cm
Density: 1.128 g/cm³
Flash Point: 133.34 °C
Enthalpy of Vaporization: 69.992 kJ/mol
Boiling Point: 411.345 °C at 760 mmHg
Vapour Pressure: 0 mmHg at 25°C

3.Structure Descriptors of 112068-01-6

(1)InChI: InChI=1S/C17H19NO/c19-17(16-12-7-13-18-16,14-8-3-1-4-9-14)15-10-5-2-6-11-15/h1-6,8-11,16,18-19H,7,12-13H2/t16-/m0/s1
(2)InChIKey: OGCGXUGBDJGFFY-INIZCTEOSA-N
(3)Canonical SMILES : C1CC(NC1)C(C2=CC=CC=C2)(C3=CC=CC=C3)O
(4)Isomeric SMILES: C1C[C@H](NC1)C(C2=CC=CC=C2)(C3=CC=CC=C3)O

4.Safety Information of 112068-01-6

Hazard Codes: Xi
Risk Statements: 36/37/38
Safety Statements: 26-37/39-24/25-36
WGK Germany: 3
F: 10-34

5.Preparation products and raw materials of 112068-01-6

Tetrahydrofuran-->Ethyl formate -->2-Pyrrolidinecarboxylic acid-->Phenylmagnesium Bromide