CAS No.148461-14-7,(4S)-(-)-4,5-DIHYDRO-2-[2'-(DIPHENYLPHOSPHINO)PHENYL]-4-ISOPROPYLOXAZOLE Suppliers

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Basic Information

Molecular Structure:
CAS No.:	148461-14-7
Name:	(4S)-(-)-4,5-DIHYDRO-2-[2'-(DIPHENYLPHOSPHINO)PHENYL]-4-ISOPROPYLOXAZOLE
Article Data:	7

Formula:	C₂₄H₂₄NOP
Molecular Weight:	373.434
Synonyms:	Oxazole,2-[2-(diphenylphosphino)phenyl]-4,5-dihydro-4-(1-methylethyl)-, (S)-;(4S)-2-(2-(Diphenylphosphino)phenyl)-4-isopropyl-1,3-oxazoline;(S)-(+)-2-[2-(Diphenylphosphino)phenyl]-4-isopropyl-1,3-oxazoline;(S)-IPr-PHOX;(S)-(?)-2-[2-(Diphenylphosphino)phenyl]-4,5-dihydro-4-isopropyloxazole;
Melting Point:	85-90 °C
Boiling Point:	492.716 °C at 760 mmHg
Flash Point:	251.786 °C
Appearance:	White crystalline powder
Hazard Symbols:	Xi
Risk Codes:	36/37/38
Safety:	37/39-26
PSA:	35.18000
LogP:	3.68180

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Specification

The 3-Oxazolidinecarboxylicacid, 2,2-dimethyl-4-(2-oxoethyl)-, 1,1-dimethylethyl ester, (4S)-, with the CAS registry number 148461-14-7, is also known as (S)-(-)-2-[2-(Diphenylphosphino)phenyl]-4-isopropyl-2-oxazoline. This chemical's molecular formula is C₂₄H₂₄NOP and molecular weight is 373.43. What's more, its systematic name is (4S)-2-[2-(diphenylphosphanyl)phenyl]-4-(propan-2-yl)-4,5-dihydro-1,3-oxazole. It should be sealed and stored in a cool and dry place. What's more, it should be protected from air and light.

Physical properties of 3-Oxazolidinecarboxylicacid, 2,2-dimethyl-4-(2-oxoethyl)-, 1,1-dimethylethyl ester, (4S)- are: (1)ACD/LogP: 6.22; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 7; (4)ACD/LogD (pH 7.4): 7; (5)ACD/BCF (pH 5.5): 67859; (6)ACD/BCF (pH 7.4): 72132; (7)ACD/KOC (pH 5.5): 98267; (8)ACD/KOC (pH 7.4): 104455; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 5; (12)Polar Surface Area: 35.18 Å²; (13)Flash Point: 251.786 °C; (14)Enthalpy of Vaporization: 73.084 kJ/mol; (15)Boiling Point: 492.716 °C at 760 mmHg.

When you are using this chemical, please be cautious about it as the following:
It is irritating to eyes, respiratory system and skin. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice. When using it, you need wear suitable protective clothing and gloves.

You can still convert the following datas into molecular structure:
(1)SMILES: N\1=C(\OC[C@@H]/1C(C)C)c4c(P(c2ccccc2)c3ccccc3)cccc4
(2)InChI: InChI=1S/C24H24NOP/c1-18(2)22-17-26-24(25-22)21-15-9-10-16-23(21)27(19-11-5-3-6-12-19)20-13-7-4-8-14-20/h3-16,18,22H,17H2,1-2H3/t22-/m1/s1
(3)InChIKey: OUQSAXROROGQEE-JOCHJYFZSA-N