[ CAS No. 19132-06-0 ] {[proInfo.proName]}

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2D 3D

Structure of 19132-06-0 * Storage: {[proInfo.prStorage]}

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Quality Control of [ 19132-06-0 ]

COA NMR CNMR HPLC LC-MS

Related Doc. of [ 19132-06-0 ]

SDS Specification

Alternatived Products of [ 19132-06-0 ]

Product Details of [ 19132-06-0 ]

CAS No. :	19132-06-0	MDL No. :	MFCD00063648
Formula :	C₄H₁₀O₂	Boiling Point :	-
Linear Structure Formula :	CH₃CH(OH)CH(OH)CH₃	InChI Key :	OWBTYPJTUOEWEK-IMJSIDKUSA-N
M.W :	90.12	Pubchem ID :	439888
Synonyms :

Calculated chemistry of [ 19132-06-0 ] Expand+

Physicochemical Properties

Num. heavy atoms :	6
Num. arom. heavy atoms :	0
Fraction Csp3 :	1.0
Num. rotatable bonds :	1
Num. H-bond acceptors :	2.0
Num. H-bond donors :	2.0
Molar Refractivity :	23.67
TPSA :	40.46 ?2

Pharmacokinetics

GI absorption :	High
BBB permeant :	No
P-gp substrate :	No
CYP1A2 inhibitor :	No
CYP2C19 inhibitor :	No
CYP2C9 inhibitor :	No
CYP2D6 inhibitor :	No
CYP3A4 inhibitor :	No
Log Kp (skin permeation) :	-7.5 cm/s

Lipophilicity

Log Po/w (iLOGP) :	1.4
Log Po/w (XLOGP3) :	-0.92
Log Po/w (WLOGP) :	-0.25
Log Po/w (MLOGP) :	-0.18
Log Po/w (SILICOS-IT) :	-0.36
Consensus Log Po/w :	-0.06

Druglikeness

Lipinski :	0.0
Ghose :	None
Veber :	0.0
Egan :	0.0
Muegge :	2.0
Bioavailability Score :	0.55

Water Solubility

Log S (ESOL) :	0.25
Solubility :	159.0 mg/ml ; 1.77 mol/l
Class :	Highly soluble
Log S (Ali) :	0.55
Solubility :	323.0 mg/ml ; 3.58 mol/l
Class :	Highly soluble
Log S (SILICOS-IT) :	0.5
Solubility :	282.0 mg/ml ; 3.13 mol/l
Class :	Soluble

Medicinal Chemistry

PAINS :	0.0 alert
Brenk :	0.0 alert
Leadlikeness :	1.0
Synthetic accessibility :	1.48

Safety of [ 19132-06-0 ]

Signal Word:	Warning	Class:	N/A
Precautionary Statements:	P261-P305+P351+P338	UN#:	N/A
Hazard Statements:	H315-H319-H335	Packing Group:	N/A
GHS Pictogram:

Application In Synthesis of [ 19132-06-0 ]

* All experimental methods are cited from the reference, please refer to the original source for details. We do not guarantee the accuracy of the content in the reference.

Downstream synthetic route of [ 19132-06-0 ]

[ 19132-06-0 ] Synthesis Path-Downstream 1~1

1
[ 19132-06-0 ]
[ 65838-10-0 ]
C₄₄H₅₆N₄O₂P₂ [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
73%		General procedure: (R,R)-N,N?-dibenzyl-1,2-cyclohexanediamine (1.06 g, 3.6 mmol) and NEt3 (1.50 mL, 10.8 mmol) were dissolved in 10 mL of toluene.PCl3 (0.40 mL, 4.6 mmol) dissolved in 5 mL of toluene was addeddrop wise at 0 C. The mixture was allowed to warm up to roomtemperature and was stirred for 2 h. The formation of the chlorodiazaphospholidinewas monitored by 31P NMR spectroscopy(d 174.5 ppm) being complete after this period. The solvent andthe excess of PCl3 were thoroughly removed under reduced pressureto afford a viscous oil. This oil was dissolved in toluene (10 mL)and 1.3 mL of NEt3 was added. The corresponding diol (1.8 mmol),((S,S)-2,3-butanediol in toluene (10 mL), (4S,5S)-4,5-di(hydroxymethyl)-2,2-dimethyl-1,3-dioxolane and (R)-1,1?-bi-2-naphthol in THF (10 mL)) was added dropwise at 0 C. After 4 hof stirring, the white precipitate of triethylamine hydrochloridewas filtered off. The solvent was removed in vacuum and ayellowish oil was obtained and used without purification. a-(S,S;Sal,Sal;S,S)Yield: 970 mg (73%). [alpha]298 37.60 (c 1.0, CH2Cl2). 31P {1H}(CDCl3, 121,44 MHz), 1H NMR (CDCl3, 400 MHz) and 13C NMR(CDCl3, 100.6 MHz) were described for the enantiomer a-(R,R;Ral,-Ral;R,R) in previous work [15].

Reference： [1]Journal of Organometallic Chemistry,2017,vol. 830,p. 42 - 55

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Isomers

Technical Information

? Appel Reaction ? Buchwald-Hartwig C-N Bond and C-O Bond Formation Reactions ? Chugaev Reaction ? Corey-Kim Oxidation ? Dess-Martin Oxidation ? Heat of Combustion ? Hydride Reductions ? Jones Oxidation ? Martin's Sulfurane Dehydrating Reagent ? Mitsunobu Reaction ? Moffatt Oxidation ? Oxidation of Alcohols by DMSO ? Preparation of Alcohols ? Preparation of Amines ? Reactions of Alcohols ? Reactions with Organometallic Reagents ? Ritter Reaction ? Sharpless Olefin Synthesis ? Swern Oxidation

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[ 19132-06-0 ]

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[ CAS No. 19132-06-0 ] {[proInfo.proName]}

Quality Control of [ 19132-06-0 ]

Related Doc. of [ 19132-06-0 ]

Product Details of [ 19132-06-0 ]

Calculated chemistry of [ 19132-06-0 ] Expand+

Physicochemical Properties

Pharmacokinetics

Lipophilicity

Druglikeness

Water Solubility

Medicinal Chemistry

Safety of [ 19132-06-0 ]

Application In Synthesis of [ 19132-06-0 ]

[ 19132-06-0 ] Synthesis Path-Downstream 1~1

Technical Information

Related Functional Groups of [ 19132-06-0 ]

Aliphatic Chain Hydrocarbons

Alcohols

Precautionary Statements-General

Prevention

Response

Storage

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Environmental hazards

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[ 19132-06-0 ]