(S)-2-甲基-CBS-氧杂硼啶一水

(S)-2-甲基-CBS-氧杂硼啶一水 - Names and Identifiers

Name	(S)-Methyl oxazaborolidine
Synonyms	(S)-Me-CBS Catalyst (S)-Methyl oxazaborolidine (S)-2-Methyl-CBS-oxazaborolidine (S)-(+)-Methyl-CBS-oxazaborolidine (S)-METHYL-CBS-OXAZABOROLIDINE,1M SOLN.IN TOLUENE (S)-Methyl oxazaborolidine, in toluene, 1M solution α,α-diphenyl-l-prolinol methylboronic acid cycl-amide-ester (S)-3,3-Diphenyl-1-methylpyrrolidino[1,2-c]-1,3,2-oxazaborole (S)-1-METHYL-3,3-DIPHENYLHEXAHYDROPYRROLO[1,2-C][1,3,2]OXAZABOROLE (S)-1-METHYL-3,3-DIPHENYL-TETRAHYDRO-PYRROLO[1,2C][1,3,2]OXAZABOROLE (S)-3,3-Diphenyl-1-methyltetrahydro-3H-pyrrolo[1,2-c][1,3,2]oxazaborole (3aS)-1-methyl-3,3-diphenyltetrahydro-3H-pyrrolo[1,2-c][1,3,2]oxazaborole
CAS	112022-81-8
EINECS	601-150-5
InChI	InChI=1/C18H20BNO/c1-19-20-14-8-13-17(20)18(21-19,15-9-4-2-5-10-15)16-11-6-3-7-12-16/h2-7,9-12,17H,8,13-14H2,1H3/t17-/m0/s1
InChIKey	VMKAFJQFKBASMU-KRWDZBQOSA-N

(S)-2-甲基-CBS-氧杂硼啶一水 - Physico-chemical Properties

Molecular Formula	C18H20BNO
Molar Mass	277.17
Density	0.93g/mLat 20°C(lit.)
Melting Point	115-117°C
Boling Point	111°C
Flash Point	40°F
Water Solubility	Hydrolyzes in water.
Vapor Presure	6.7E-06mmHg at 25°C
Appearance	Liquid
Color	Colorless to amber
Exposure Limit	ACGIH: TWA 20 ppmOSHA: Ceiling 300 ppm; TWA 200 ppmNIOSH: IDLH 500 ppm; TWA 100 ppm(375 mg/m3); STEL 150 ppm(560 mg/m3)
BRN	8492123
pKa	1.02±0.40(Predicted)
Storage Condition	room temp
Sensitive	Air & Moisture Sensitive
Refractive Index	-68 ° (C=1, MeOH)

(S)-2-甲基-CBS-氧杂硼啶一水 - Risk and Safety

Risk Codes	R36/37/38 - Irritating to eyes, respiratory system and skin. R67 - Vapors may cause drowsiness and dizziness R65 - Harmful: May cause lung damage if swallowed R63 - Possible risk of harm to the unborn child R48/20 - R11 - Highly Flammable R19 - May form explosive peroxides R40 - Limited evidence of a carcinogenic effect
Safety Description	S26 - In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. S62 - If swallowed, do not induce vomitting; seek medical advice immediately and show this container or label. S36/37 - Wear suitable protective clothing and gloves. S33 - Take precautionary measures against static discharges. S29 - Do not empty into drains. S16 - Keep away from sources of ignition.
UN IDs	UN 1294 3/PG 2
WGK Germany	3
FLUKA BRAND F CODES	10-21
HS Code	29349990
Hazard Class	3
Packing Group	II

(S)-2-甲基-CBS-氧杂硼啶一水 - Reference Information

Application

(R)-2-methyl-CBS-oxazoborane is a kind of CBS catalyst. This kind of catalyst can reduce the prochiral ketone to the corresponding chiral secondary alcohol with high stereoselectivity under the action of borane tetrahydrofuran.

Last Update：2024-04-10 22:30:50