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CAS No.: | 27763-54-8 |
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Name: | (S)-2-Methylbutanoyl chloride |
Article Data: | 34 |
Molecular Structure: | |
Formula: | C5H9ClO |
Molecular Weight: | 120.579 |
Synonyms: | (S)-2-Methylbutanoyl chloride;(S)-2-Methylbutyryl chloride;2(S)-Methylbutyrylchloride;Butanoylchloride, 2-methyl-, (S)-;Butyryl chloride, 2-methyl-, (+)- (8CI);(+)-2-Methylbutanoyl chloride;(S)-(+)-2-Methylbutanoyl chloride;(S)-(+)-2-Methylbutyryl chloride;(S)-(+)-Methylbutyryl chloride;(S)-(+)-a-Methylbutyryl chloride; |
Density: | 1.005 g/cm3 |
Boiling Point: | 116.4 °C at 760 mmHg |
Flash Point: | 25.5 °C |
PSA: | 17.07000 |
LogP: | 1.79790 |
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The systematic name of (S)-2-Methylbutanoyl chloride is (2S)-2-methylbutanoyl chloride. With the CAS registry number 27763-54-8, it is also named as (S)-(+)-2-Methylbutanoyl chloride. In addition, its molecular formula is C5H9ClO and molecular weight is 120.58.
The other characteristics of this product can be summarized as: (1)ACD/LogP: 1.87; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 1; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 2; (6)Polar Surface Area: 17.07 Å2; (7)Index of Refraction: 1.415; (8)Molar Refractivity: 30.05 cm3; (9)Molar Volume: 119.9 cm3; (10)Polarizability: 11.91×10-24cm3; (11)Surface Tension: 26.4 dyne/cm; (12)Density: 1.005 g/cm3; (13)Flash Point: 25.5 °C; (14)Enthalpy of Vaporization: 35.48 kJ/mol; (15)Boiling Point: 116.4 °C at 760 mmHg; (16)Vapour Pressure: 18.2 mmHg at 25 °C.
Preparation of (S)-2-Methylbutanoyl chloride: this chemical can be prepared by (S)-2-Methyl-butyric acid.
This reaction needs SOCl2. The yield is 77 %.
Uses of (S)-2-Methylbutanoyl chloride: it can react with Aziridine to get (2'S)-1-(2'-Methylbutyryl)aziridine.
This reaction needs Et3N and Diethyl ether at temperature of 20 °C for 2 hours. The yield is 72 %.
People can use the following data to convert to the molecule structure.
(1)SMILES: ClC(=O)[C@@H](C)CC
(2)InChI: InChI=1/C5H9ClO/c1-3-4(2)5(6)7/h4H,3H2,1-2H3/t4-/m0/s1
(3)InChIKey: XRPVXVRWIDOORM-BYPYZUCNBL
(4)Std. InChI: InChI=1S/C5H9ClO/c1-3-4(2)5(6)7/h4H,3H2,1-2H3/t4-/m0/s1
(5)Std. InChIKey: XRPVXVRWIDOORM-BYPYZUCNSA-N