2-chloroethyl isothiocyanate
cyclohexylamine
N-(2-chloroethyl)-N'-cyclohexylurea
Conditions | Yield |
---|---|
With triethylamine In tetrahydrofuran at 50℃; for 0.0166667h; Solvent; Temperature; Time; Flow reactor; | 91.7% |
With triethylamine In tetrahydrofuran at 50℃; for 0.0166667h; Solvent; Temperature; | 91.7% |
With diethyl ether |
N-cyclohexyl-carbamate de succinimidyle
chloroethylamine
N-(2-chloroethyl)-N'-cyclohexylurea
Conditions | Yield |
---|---|
Ambient temperature; | 68.6% |
Ethyl-5-(2-chloroethyl)-3-nitrosohydantoat
cyclohexylamine
N-(2-chloroethyl)-N'-cyclohexylurea
Conditions | Yield |
---|---|
In water Ambient temperature; |
1-(2-chloroethyl)-3-cyclohexyl-1-nitrosourea
A
Diazoethan
B
N-(2-chloroethyl)-N'-cyclohexylurea
C
ethanol
D
cyclohexylamine
E
ethylamine
Conditions | Yield |
---|---|
With potassium hydroxide; aluminum nickel In methanol Product distribution; Mechanism; degradation under various conditions (HBr in glac. CH3CO2H) with preparation of nonmutagenic reaction mixtures of products; |
Cyclohexyl isocyanate
chloroethylamine
N-(2-chloroethyl)-N'-cyclohexylurea
Conditions | Yield |
---|---|
In diethyl ether Ambient temperature; |
cyclohexylamine
N-(2-chloroethyl)-N'-cyclohexylurea
Conditions | Yield |
---|---|
Multi-step reaction with 2 steps 1: 56.6 percent / acetonitrile / Ambient temperature 2: 68.6 percent / Ambient temperature View Scheme |
N-(2-chloroethyl)-N'-cyclohexylurea
1-(2-chloroethyl)-3-cyclohexyl-1-nitrosourea
Conditions | Yield |
---|---|
With tin(IV) chloride; sodium nitrite In dichloromethane at 20℃; for 2h; | 100% |
With tert.-butylnitrite In ethanol; acetonitrile at 25℃; for 0.133333h; Reagent/catalyst; Solvent; Temperature; Time; Flow reactor; | 91.2% |
With tert.-butylnitrite In ethanol; acetonitrile at 25℃; for 0.133333h; Reagent/catalyst; Temperature; Solvent; | 91.2% |
N-(2-chloroethyl)-N'-cyclohexylurea
2-(cyclohexylamino)-2-oxazoline
Conditions | Yield |
---|---|
In water Heating; | 80% |
The Urea,N-(2-chloroethyl)-N'-cyclohexyl-, with the CAS registry number of 13908-11-7, is also known as 1-Cyclohexyl-3-(2-chloroethyl)urea. Its molecular formula is C9H17ClN2O and molecular weight is 204.697080. What's more, its IUPAC name is 1-(2-Chloroethyl)-3-cyclohexylurea.
Physical properties about the Urea,N-(2-chloroethyl)-N'-cyclohexyl- are: (1)ACD/LogP: 1.93; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.93; (4)ACD/LogD (pH 7.4): 1.93; (5)ACD/BCF (pH 5.5): 17.23; (6)ACD/BCF (pH 7.4): 17.23; (7)ACD/KOC (pH 5.5): 267.04; (8)ACD/KOC (pH 7.4): 267.03; (9)#H bond acceptors: 3; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 23.55 Å2; (13)Index of Refraction: 1.498; (14)Molar Refractivity: 53.9 cm3; (15)Molar Volume: 183.6 cm3; (16)Surface Tension: 39.1 dyne/cm; (17)Density: 1.11 g/cm3; (18)Flash Point: 184.8 °C; (19)Enthalpy of Vaporization: 63.04 kJ/mol; (20)Boiling Point: 382 °C at 760 mmHg; (21)Vapour Pressure: 4.86E-06 mmHg at 25 °C.
Preparation: this chemical can be obtained by N-Cyclohexyl-carbamate de succinimidyle and 2-Chloro-ethylamine. The yield is about 68.6 %.
Uses: it is used to produce other chemicals. For example, it is used to produce Cyclohexyl-(4,5-dihydro-oxazol-2-yl)-amine. This reaction needs solvent H2O. The yield is about 80 %.
You can still convert the following datas into molecular structure:
(1) SMILES: O=C(NC1CCCCC1)NCCCl
(2) InChI: InChI=1/C9H17ClN2O/c10-6-7-11-9(13)12-8-4-2-1-3-5-8/h8H,1-7H2,(H2,11,12,13)
(3) InChIKey: BIOZXMXBLXQEBQ-UHFFFAOYAL
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