(R)-(+)-N-Benzyl-alpha-methylbenzylamine - CAS 38235-77-7

Catalog:	BB023593
Product Name:	(R)-(+)-N-Benzyl-alpha-methylbenzylamine
CAS:	38235-77-7
Synonyms:	(1R)-1-phenyl-N-(phenylmethyl)ethanamine; (1R)-N-benzyl-1-phenylethanamine

Technical Data

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Computed Properties

IUPAC Name:	(1R)-N-benzyl-1-phenylethanamine
Description:	(R)-(+)-N-Benzyl-alpha-methylbenzylamine (CAS# 38235-77-7) is a starting material for the preparation of (R)-3-Aminobutan-1-ol (A602105).
Molecular Weight:	211.30
Molecular Formula:	C15H17N
Canonical SMILES:	CC(C1=CC=CC=C1)NCC2=CC=CC=C2
InChI:	InChI=1S/C15H17N/c1-13(15-10-6-3-7-11-15)16-12-14-8-4-2-5-9-14/h2-11,13,16H,12H2,1H3/t13-/m1/s1
InChI Key:	ZYZHMSJNPCYUTB-CYBMUJFWSA-N
Boiling Point:	171 °C (15 mmHg)
Density:	1.001 g/cm³
MDL:	MFCD00015010
LogP:	3.92830

Publication Number	Title	Priority Date
WO-2021105337-A1	Process for the preparation (9s)-2-bromo-9-(2,3,4-trifluorophenyl)-6,7,8,9-tetrahydro-5h-[1,2,4]triazolo[1,5-a]azepine	20191129
WO-2021047616-A1	Oxynitride heterocyclic heptane-based spiro compound, intermediate and preparation method therefor	20190912
WO-2020255038-A1	Combination of hepatitis b virus (hbv) vaccines and pyridopyrimidine derivatives	20190618
WO-2020153279-A1	Process for the differential solubility-driven asymmetric transformation of substituted 2h-chromene-3-carboxylic acids	20190122
US-2021130290-A1	(r)-4-(1-(1-(4-(trifluoromethyl)benzyl)pyrrolidine-2-carboxamide)cyclopropyl)-benzoic acid as ep4 receptor antagonist	20180712

PMID	Publication Date	Title	Journal
22531950	20120814	On the origins of diastereoselectivity in the conjugate additions of the antipodes of lithium N-benzyl-(N-α-methylbenzyl)amide to enantiopure cis- and trans-dioxolane containing α,β-unsaturated esters	Organic & biomolecular chemistry
22508329	20120501	Resolution of 2-chloromandelic acid with (R)-(+)-N-benzyl-1-phenylethylamine: chiral discrimination mechanism	Chirality
22149591	20120106	Parallel kinetic resolution of acyclic γ-amino-α,β-unsaturated esters: application to the asymmetric synthesis of 4-aminopyrrolidin-2-ones	Organic letters
22102401	20111215	Microspheres consisting of optically active helical substituted polyacetylenes: preparation via suspension polymerization and their chiral recognition/release properties	Macromolecular rapid communications
19348467	20090507	A tandem conjugate addition/cyclization protocol for the asymmetric synthesis of 2-aryl-4-aminotetrahydroquinoline-3-carboxylic acid derivatives	Organic letters

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GHS Hazard Statement:	H302 (91.67%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	178
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	1
Defined Bond Stereocenter Count:	0
Exact Mass:	211.136099547
Formal Charge:	0
Heavy Atom Count:	16
Hydrogen Bond Acceptor Count:	1
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	211.136099547
Rotatable Bond Count:	4
Topological Polar Surface Area:	12 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	3.2