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Methyldicyclohexylamine

Methyldicyclohexylamine structure

CAS No:
7560-83-0
Formula:
C13H25N
Chemical Name:
Methyldicyclohexylamine
Synonyms:
Cyclohexanamine,N-cyclohexyl-N-methyl-;Dicyclohexylamine,N-methyl-;N-Cyclohexyl-N-methylcyclohexanamine;N-Methyldicyclohexylamine;N,N-Dicyclohexylmethylamine;Methyldicyclohexylamine;NSC 133262;NSC 166513;Dicyclohexyl(methyl)amine;N,N-Dicyclohexyl-N-methylamine;PC 12;D 0820;N,N′-Dicyclohexylmethylamine;PC CAT NP 112
Categories:
Chemical Reagents > Organic Reagents

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Description

CBI

Methyldicyclohexylamine Basic Attributes

Molecular Weight：

195.34

Exact Mass：

195.34

EC Number：

231-453-4

UNII：

RI95G6J8FF

NSC Number：

166513

DSSTox ID：

DTXSID6044727

HScode：

2921300090

Characteristics

PSA：

3.2

XLogP3：

3.7

Appearance：

clear to yellow liquid

Density：

0.9±0.1 g/cm3

Melting Point：

193-194 °C

Boiling Point：

265 °C

Flash Point：

231 °F

Refractive Index：

1.492

Safety Information

Packing level：

III

Hazard category：

Transport codes：

UN 2735 8/PG 2

wgk germany：

hazard class code：

22-34

safety instructions：

26-36/37/39-45

RTECS Number：

HY4190000

Marks：

Precautionary statement(s)：

P280-P305 + P351 + P338-P310

Hazard Statements：

H302-H314

GHS Classification：

|Danger|H301 (40.28%): Toxic if swallowed [Danger Acute toxicity, oral]|P260, P264, P270, P280, P301+P310, P301+P312, P301+P330+P331, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P310, P312, P321, P322, P330, P361, P363, P405, and P501|Aggregated GHS information provided by 72 companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Methyldicyclohexylamine Use and Manufacturing

Methods of Manufacturing

General procedure: Phenylboronic acid (1.0 equiv. for aliphatic N-oxides and 1.5 equiv. for pyridine N-oxides) and tert-amine N-oxide (1 mmol) was stirred in dichloroethane (2 mL) at appropriate temperature (80 oC and 120 oC respectively) in a pressure tube. The progress of the reaction was monitoredby using TLC. After completion, the reaction mixture was diluted with ethyl acetate and washed with water and NaOH solution (1 normal, 3*5 mL). The organic layer was dried over anhydrous sodium sulfate, evaporated and subjected to the column chromatography to obtain pure products.General procedure: In a glass reaction vessel, 2 mmol of 2- (benzylamino) ethanol, 45 mg of catalyst D, 20 mL of dehydrated methanol, and a magnetic stirrer.Then, an argon gas was introduced into the sealed reaction system, and under a condition of 25 C., While stirring the reaction system, ultraviolet rays were irradiated for 10 hours.When the reaction solution was subjected to GC-MS analysis, Only 2- (N-methylbenzylamino) ethanol was obtained(Yield 87%, see Table 3).General procedure: The same procedure as in Example 10, 100 mL of a reactor equipped with a magnetic stirrer, Using catalyst A 20 mg, The reaction medium was tetrahydrofuran 3 mL, Respectively, adding the reaction raw amine 1 mmol, Paraformaldehyde 1.2 mmol, Sealed with H2 gas replacement system in the air 3 times, Then filled with 0.5MPa H2.And then heated to 120-140 after 9 hours.Reaction temperature, The time and target product are shown in Table 2 below.After stopping the reaction and cooling to room temperature, The reaction mixture was quantitatively analyzed using an HP 6890/5973 GC-MS gas mass spectrometer and an Agilent 7890A (30 m x 0.25 mm x 0.33 [mu] m capillary column, hydrogen flame ion detector)And the target product is obtained by conventional separation and purification means, The yield of the target product is shown in Table 2-1 and Table 2-2.

Manufacturing Info：

Wholesale and retail trade|Cyclohexanamine, N-cyclohexyl-N-methyl-: ACTIVE

Computed Properties

Molecular Weight:195.34
XLogP3:3.7
Hydrogen Bond Acceptor Count:1
Rotatable Bond Count:2
Exact Mass:195.198699802
Monoisotopic Mass:195.198699802
Topological Polar Surface Area:3.2
Heavy Atom Count:14
Complexity:137
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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