(S)-(+)-2,2-Dimethylcyclopropanecarboxylic acid supplier

Name
(S)-(+)-2,2-DIMETHYLCYCLOPROPANE CARBOXYLIC ACID
EINECS
CAS No. 14590-53-5
Article Data11
CAS DataBase
Density 1.099 g/cm³
Solubility
Melting Point
Formula C₆H₁₀O₂
Boiling Point 184.205 °C at 760 mmHg
Molecular Weight 114.144
Flash Point 83.357 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Cyclopropanecarboxylic acid, 2,2-dimethyl-,(S)-;(+)-2,2-Dimethylcyclopropanecarboxylic acid;(S)-2,2-Dimethylcyclopropanecarboxylic acid;Cyclopropanecarboxylicacid, 2,2-dimethyl-, (+)- (8CI);
PSA 37.30000
LogP 1.11710

(S)-(+)-2,2-Dimethylcyclopropanecarboxylic acid Specification

The systematic name of this chemical is (1S)-2,2-dimethylcyclopropanecarboxylic acid. With the CAS registry number 14590-53-5, it is also named as cyclopropanecarboxylic acid, 2,2-dimethyl-, (1S)-. The product's categories are Carboxylic Acids (Chiral); Chiral Building Blocks; Cyclopropanes; Simple 3-Membered Ring Compounds; Synthetic Organic Chemistry. In addition, the formula is C₆H₁₀O₂ and the molecular weight is 114.14.

The other characteristics of (S)-(+)-2,2-Dimethylcyclopropanecarboxylic acid can be summarized as: (1)ACD/LogP: 0.99; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1; (4)ACD/LogD (pH 7.4): ; (5)ACD/BCF (pH 5.5): 2; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 46; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 37.3 Å²; (13)Index of Refraction: 1.475; (14)Molar Refractivity: 29.264 cm³; (15)Molar Volume: 103.903 cm³; (16)Polarizability: 11.601×10^-24 cm³; (17)Surface Tension: 37.488 dyne/cm; (18)Density: 1.099 g/cm³; (19)Flash Point: 83.357 °C; (20)Enthalpy of Vaporization: 46.352 kJ/mol; (21)Boiling Point: 184.205 °C at 760 mmHg; (22)Vapour Pressure: 0.339 mmHg at 25°C.

Uses of (S)-(+)-2,2-Dimethylcyclopropanecarboxylic acid: It can react with N-trifluoroacetoxysuccinimide to get (+)-N-{[(2,2-dimethylcyclopropyl)carbonyl]oxy}succinimide. This reaction needs reagent pyridine at ambient temperature. The reaction time is 1.5 hours. The yield is 93%.

People can use the following data to convert to the molecule structure.
1. SMILES:O=C(O)[C@H]1CC1(C)C
2. InChI:InChI=1/C6H10O2/c1-6(2)3-4(6)5(7)8/h4H,3H2,1-2H3,(H,7,8)/t4-/m1/s1
3. InChIKey:BFNMOMYTTGHNGJ-SCSAIBSYBR

Product Name

(S)-(+)-2,2-DIMETHYLCYCLOPROPANE CARBOXYLIC ACID

(S)-(+)-2,2-Dimethylcyclopropanecarboxylic acid Specification

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