(R)-Bis(3,5-dimethylphenyl)(2-pyrrolidinyl)methanol - CAS 948595-01-5

Name: (R)-Bis(3,5-dimethylphenyl)(2-pyrrolidinyl)methanol
Brand: BOC Sciences
Rating: 5 (1 reviews)

Catalog:	BB041573
Product Name:	(R)-Bis(3,5-dimethylphenyl)(2-pyrrolidinyl)methanol
CAS:	948595-01-5
Synonyms:	bis(3,5-dimethylphenyl)-[(2R)-2-pyrrolidinyl]methanol; bis(3,5-dimethylphenyl)-[(2R)-pyrrolidin-2-yl]methanol

Technical Data

IUPAC Name:	bis(3,5-dimethylphenyl)-[(2R)-pyrrolidin-2-yl]methanol
Description:	(R)-Bis(3,5-dimethylphenyl)(2-pyrrolidinyl)methanol (CAS# 948595-01-5 ) is a useful research chemical.
Molecular Weight:	309.45
Molecular Formula:	C21H27NO
Canonical SMILES:	CC1=CC(=CC(=C1)C(C2CCCN2)(C3=CC(=CC(=C3)C)C)O)C
InChI:	InChI=1S/C21H27NO/c1-14-8-15(2)11-18(10-14)21(23,20-6-5-7-22-20)19-12-16(3)9-17(4)13-19/h8-13,20,22-23H,5-7H2,1-4H3/t20-/m1/s1
InChI Key:	MXIOBZPVLNQGIU-HXUWFJFHSA-N
Melting Point:	98-101 °C
Storage:	Keep cold.
LogP:	4.23690

GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P264, P270, P273, P301+P312, P330, P391, and P501
Signal Word:	Warning

Publication Number	Title	Priority Date
US-2010324338-A1	Catalyst for asymmetric hydrogenation	20090603
US-8217204-B2	Catalyst for asymmetric hydrogenation	20090603

Complexity:	349
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	1
Defined Bond Stereocenter Count:	0
Exact Mass:	309.209264485
Formal Charge:	0
Heavy Atom Count:	23
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	2
Isotope Atom Count:	0
Monoisotopic Mass:	309.209264485
Rotatable Bond Count:	3
Topological Polar Surface Area:	32.3 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	4.1