4-tert-Butylcyclohexyl chloroformate

The 4-tert-Butylcyclohexyl chloroformate ,with the CAS register number 42125-46-2 , is also called 4-butylcyclohexylchloroformate , Carbonochloridicacid,4-(1,1-dimethylethyl)cyclohexylester , Chloridocarbonic acid 4-(1,1-dimethylethyl)cyclohexyl ester and so on. And its systematic name and EPA registry name are all called Carbonochloridic acid, 4-(1,1-dimethylethyl)cyclohexyl ester .

Characteristics of this chemical are as follows: (1)ACD/LogP: 3.47 ; (2)ACD/LogD (pH 5.5): 3.47 ; (3)ACD/LogD (pH 7.4): 3.47 ; (4)ACD/BCF (pH 5.5): 256.83 ; (5) ACD/BCF (pH 7.4): 256.83 ; (6)ACD/KOC (pH 5.5): 1846.84 ; (7)ACD/KOC (pH 7.4): 1846.84 ; (8)#H bond acceptors: 3 ;(9)#Freely Rotating Bonds: 2 ; (10)Polar Surface Area: 57.78; (11)Index of Refraction: 1.576 ; (12) Molar Refractivity: 72.88 cm³ ; (13)Molar Volume: 220.1 cm³ ; (14)Polarizability: 28.89 ×10-24cm³ ; (15)Surface Tension: 47.1 dyne/cm; (16)Density: 1.445 g/cm³ ; (17)Flash Point: 185.3 °C ; (18)Enthalpy of Vaporization: 63.13 kJ/mol ; (19)Boiling Point: 382.8 °C at 760 mmHg ; (20)Vapour Pressure: 4.59E-06 mmHg at 25°C.

The method of making this chemical is as below: Firstly, prepare the raw substance of 4-tert-Butylcyclohexyl chloroformate , triphosgene and the inorganic catalyst, and then react in the organic reagent for about 6-30 hours under 15-60 ℃. After the reaction, filter and seperate the catalyst and then distill the mother liquor to the chemcial reagent. Thirdly, make the seperation on columns and get the substance. Finally, recrystal this kind of substance with petroleum leve under -5℃~10℃ for about 5-24 hours. Through this way, you could get the white crystal which is 4-tert-Butylcyclohexyl chloroformate .

And you could obtain the molecular structure by using the following data information:
SMILES:
O=C(Cl)OC1CCC(CC1)C(C)(C)C
InChI:
InChI=1/C11H19ClO2/c1-11(2,3)8-4-6-9(7-5-8)14-10(12)13/h8-9H,4-7H2,1-3H3