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| CAS No.: | 101-83-7 |
|---|---|
| Name: | Dicyclohexylamine |
| Molecular Structure: | |
|
|
|
| Formula: | C12H23N |
| Molecular Weight: | 181.321 |
| Synonyms: | Dodecahydrodiphenylamine;N,N-Dicyclohexylamine;N-Cyclohexylcyclohexanamine;NSC 3399;Dicyclohexylamine(8CI);Aminodicyclohexane;Bis(cyclohexyl)amine;D-CHA-T; |
| EINECS: | 202-980-7 |
| Density: | 0.912 g/cm3 |
| Melting Point: | -2 °C |
| Boiling Point: | 256.1 °C at 760 mmHg |
| Flash Point: | 96.1 °C |
| Solubility: | 1 g/L (20 °C) in water |
| Appearance: | Colorless liquid |
| Hazard Symbols: |
 C, N
|
| Risk Codes: | 22-34-50/53 |
| Safety: | 26-36/37/39-45-60-61 |
| Transport Information: | UN 2565 8/PG 3 |
| PSA: | 12.03000 |
| LogP: | 3.63230 |
aniline
A
cyclohexane
B
cyclohexylamine
C
N-cyclohexyl-cyclohexanamine
D
cyclohexene
| Conditions | Yield |
|---|---|
| With ammonia; hydrogen at 180 - 200℃; | A n/a B 98.4% C 0.08% D n/a |
| With hydrogen at 160 - 200℃; under 150015 Torr; | A n/a B 95.9% C 0.45% D n/a |
| Conditions | Yield |
|---|---|
| With lithium hydroxide; hydrogen; 5% ruthenium/lithium aluminate In water at 150℃; under 44718.8 Torr; for 2.08333h; Product distribution / selectivity; Neat (no solvent); | A 97.1% B 1% |
| With lithium hydroxide; hydrogen; 5% activated charcoal-supported ruthenium catalyst In water at 150℃; under 44718.8 Torr; for 1.21667h; Product distribution / selectivity; Neat (no solvent); | A 91.8% B 5.73% |
| With hydrogen; 5% ruthenium/lithium aluminate at 150℃; under 44718.8 Torr; for 1.28333 - 3h; Product distribution / selectivity; Neat (no solvent); | A 89.2% B 0.08% |
N-cyclohexyl-cyclohexanamine
| Conditions | Yield |
|---|---|
| Stage #1: dicyclohexyl-(3-methylbut-2-enyl)amine With 2,2'-azobis(isobutyronitrile); para-thiocresol In benzene Heating; Stage #2: With hydrogenchloride | 97% |
| With 2,3-dicyano-5,6-dichloro-p-benzoquinone In dichloromethane; water at 20℃; for 4h; chemoselective reaction; | 95% |
N,N-dicyclohexyl-p-toluenesulfonamide
N-cyclohexyl-cyclohexanamine
| Conditions | Yield |
|---|---|
| With pyrrolidine; samarium diiodide; water In tetrahydrofuran at 20℃; Inert atmosphere; | 96% |
| With naphthalene; tetraethylammonium bromide In N,N-dimethyl-formamide at 0℃; Inert atmosphere; Electrolysis; | 96% |
| Stage #1: N,N-dicyclohexyl-p-toluenesulfonamide With Na/K absorbed into silica gel In tetrahydrofuran at 20℃; Inert atmosphere; Stage #2: With water In tetrahydrofuran | 83% |
| With diammonium hydrogenphosphate In tetrahydrofuran at 20℃; Product distribution / selectivity; Cooling with ice; | 80% |
| Conditions | Yield |
|---|---|
| With {[(PCy3)(CO)RuH]4(μ-O)(μ-OH)2}; 4-tert-Butylcatechol In chlorobenzene at 130℃; for 16h; Glovebox; Schlenk technique; Sealed tube; chemoselective reaction; | 95% |
| With tris(triphenylphosphine)ruthenium(II) chloride In tetrahydrofuran at 185℃; for 5h; | 92% |
| With NiCuFeO(x) In 5,5-dimethyl-1,3-cyclohexadiene for 24h; Inert atmosphere; Sealed tube; Reflux; | 82% |
N-cyclohexyl-cyclohexanamine
| Conditions | Yield |
|---|---|
| Stage #1: ((E)-But-2-enyl)-dicyclohexyl-amine With 2,2'-azobis(isobutyronitrile); para-thiocresol In benzene Heating; Stage #2: With hydrogenchloride | 95% |
N-cyclohexyl-cyclohexanamine
| Conditions | Yield |
|---|---|
| With formic acid; potassium hydroxide In ethanol at 70℃; for 1h; | 93% |
| With Pd(OH)2/C In methanol for 8h; Reflux; | 62% |
| Conditions | Yield |
|---|---|
| With NiCuFeO(x) In 5,5-dimethyl-1,3-cyclohexadiene for 24h; Inert atmosphere; Sealed tube; Reflux; | 92% |
| With lithium hydroxide In neat (no solvent) at 140℃; for 48h; Inert atmosphere; | 74% |
| With nickel at 180 - 190℃; im Ruehrautoklaven; | |
| With thorium dioxide at 290 - 320℃; |
| Conditions | Yield |
|---|---|
| With urea In 1,3,5-trimethyl-benzene at 141℃; under 760.051 Torr; for 16h; Inert atmosphere; | 92% |
| With ammonium tetrafluroborate; sodium hydrogencarbonate; bis[dichloro(pentamethylcyclopentadienyl)iridium(III)] at 140℃; for 17h; | 86% |
| With [Cp*Ir(NH3)3]I2; ammonia In water at 140℃; for 24h; Autoclave; Inert atmosphere; | 85% |
N-cyclohexyl-cyclohexanamine
| Conditions | Yield |
|---|---|
| With trifluorormethanesulfonic acid; methoxybenzene In dichloromethane at 0℃; desulfonation; | 92% |
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The N,N-Dicyclohexylamine, with the CAS registry number 101-83-7, is also known as Dodecahydrodiphenylamine. It belongs to the product categories of Pharmaceutical Intermediates; Amines; C11 to C38; Nitrogen Compounds; Aliphatics Volatiles/ Semivolatiles; Alpha Sort; Chemical Class; D; DAlphabetic; DIA - DIC; Analytical Reagents for General Use; C-D, Puriss p.a.; Puriss p.a.. Its EINECS registry number is 202-980-7. This chemical's molecular formula is C12H23N and molecular weight is 181.31772. Its IUPAC name is called N-cyclohexylcyclohexanamine. This chemical's classification codes are Enzyme inhibitors; Mutation Data; Skin / Eye Irritant; Tumor Data.
Physical properties of N,N-Dicyclohexylamine: (1)ACD/LogP: 3.69; (2)ACD/LogD (pH 5.5): 0.59; (3)ACD/LogD (pH 7.4): 0.64; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 1.92; (7)ACD/KOC (pH 7.4): 2.15; (8)#H bond acceptors: 1; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 2; (11)Index of Refraction: 1.487; (12)Molar Refractivity: 57.12 cm3; (13)Molar Volume: 198.2 cm3; (14)Surface Tension: 33.1 dyne/cm; (15)Density: 0.91 g/cm3; (16)Flash Point: 96.1 °C; (17)Enthalpy of Vaporization: 49.36 kJ/mol; (18)Boiling Point: 256.1 °C at 760 mmHg; (19)Vapour Pressure: 0.0157 mmHg at 25°C.
Preparation of N,N-Dicyclohexylamine: this chemical can be prepared by aniline. This reaction will need reagent nickel catalyst.
Uses of N,N-Dicyclohexylamine: it can be used to produce chloro-acetic acid dicyclohexylamide at temperature of 25 °C. This reaction will need reagent CH2Cl2 with reaction time of 12 hours. The yield is about 61%.
When you are using this chemical, please be cautious about it as the following:
This chemical may destroy living tissue on contact and may cause burns. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice. Whenever you will contact it, please wear suitable protective clothing, gloves and eye/face protection.
You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C1CCC(CC1)NC2CCCCC2
(2)InChI: InChI=1S/C12H23N/c1-3-7-11(8-4-1)13-12-9-5-2-6-10-12/h11-13H,1-10H2
(3)InChIKey: XBPCUCUWBYBCDP-UHFFFAOYSA-N
The toxicity data is as follows:
| Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
|---|---|---|---|---|---|
| mouse | LD50 | oral | 500mg/kg (500mg/kg) | "Prehled Prumyslove Toxikologie; Organicke Latky," Marhold, J., Prague, Czechoslovakia, Avicenum, 1986Vol. -, Pg. 468, 1986. | |
| mouse | LD50 | subcutaneous | 135mg/kg (135mg/kg) | Voprosy Onkologii. Problems of Oncology. For English translation, see PONCAU. Vol. 4, Pg. 659, 1958. | |
| rabbit | LDLo | subcutaneous | 500mg/kg (500mg/kg) | BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD | Industrial and Engineering Chemistry. Vol. 29, Pg. 1247, 1937. |
| rat | LD50 | oral | 373mg/kg (373mg/kg) | "Prehled Prumyslove Toxikologie; Organicke Latky," Marhold, J., Prague, Czechoslovakia, Avicenum, 1986Vol. -, Pg. 468, 1986. |
