trans-2-Phenyl-1-cyclohexanol - CAS 2362-61-0

Name: trans-2-Phenyl-1-cyclohexanol
Brand: BOC Sciences
Rating: 5 (1 reviews)

Technical Data

IUPAC Name:	(1R,2S)-2-phenylcyclohexan-1-ol
Description:	trans-2-Phenyl-1-cyclohexanol was used as a chiral derivatizing reagent to determine absolute configuration of α-chiral carboxylic acids by 1H NMR. Also, it was used for studying QSARs for baseline toxicity.
Molecular Weight:	176.25
Molecular Formula:	C12H16O
Canonical SMILES:	C1CCC(C(C1)C2=CC=CC=C2)O
InChI:	InChI=1S/C12H16O/c13-12-9-5-4-8-11(12)10-6-2-1-3-7-10/h1-3,6-7,11-13H,4-5,8-9H2/t11-,12+/m0/s1
InChI Key:	AAIBYZBZXNWTPP-NWDGAFQWSA-N
Boiling Point:	152-155 °C / 16 mmHg (lit.), 278.5 °C at 760 mmHg
Density:	1.051 g/cm³
Appearance:	White powder or crystals
MDL:	MFCD00003865
LogP:	2.70510

Publication Number	Title	Priority Date
US-2020109141-A1	Amino acid compounds and methods of use	20181008
TW-202028179-A	Amino acid compounds and methods of use	20181008
KR-20210101205-A	Amino Acid Compounds and Methods of Use	20181008
CN-110143934-A	A kind of fluorine-containing bearing taxanes and the preparation method and application thereof	20180829
JP-2019068028-A	PHOTOELECTRIC CONVERSION ELEMENT AND METHOD FOR MANUFACTURING THE SAME	20170328

PMID	Publication Date	Title	Journal
16805561	20060706	TADDOL-derived phosphites and phosphoramidites for efficient rhodium-catalyzed asymmetric hydroboration	Organic letters
15609955	20041224	Enantioselective [4 + 2] cycloadditions of o-quinone methides: total synthesis of (+)-mimosifoliol and formal synthesis of (+)-tolterodine	The Journal of organic chemistry
14763825	20040101	Reactivity of pure Candida rugosa lipase isoenzymes (Lip1, Lip2, and Lip3) in aqueous and organic media. influence of the isoenzymatic profile on the lipase performance in organic media	Biotechnology progress
11035182	20011117	Continuous enantioselective esterification of trans-2-phenyl-1-cyclohexanol using a new Candida rugosa lipase in a packed bed bioreactor	Journal of biotechnology

Complexity:	149
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	2
Defined Bond Stereocenter Count:	0
Exact Mass:	176.12011513
Formal Charge:	0
Heavy Atom Count:	13
Hydrogen Bond Acceptor Count:	1
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	176.12011513
Rotatable Bond Count:	1
Topological Polar Surface Area:	20.2
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.7