1,4-Cyclohexanediamine supplier

Name
1,4-Cyclohexanediamine
EINECS 221-483-6
CAS No. 3114-70-3
Article Data22
CAS DataBase
Density 0.939 g/cm³
Solubility
Melting Point
Formula C₆H₁₄N₂
Boiling Point 199.4 °C at 760 mmHg
Molecular Weight 114.191
Flash Point 80 °C
Transport Information
Appearance
Safety 23-26-36/37/39-45
Risk Codes 22-34
Molecular Structure
Hazard Symbols
Synonyms 1,4-Cyclohexylenediamine;1,4-Diaminocyclohexane;4-Aminocyclohexylamine;Hexahydro-1,4-phenylenediamine;
PSA 52.04000
LogP 1.61560

Synthetic route

: 637-88-7
1,4-Cyclohexanedione

: 3114-70-3
trans-1,4-diaminocyclohexane

Conditions

Conditions	Yield
With Co-doped zirconium dioxide; ammonia; hydrogen; N-butylamine In methanol at 99.84℃; for 10h; Autoclave; chemoselective reaction;	90%
With (S)-1-phenyl-ethylamine; pyridoxal 5'-phosphate; pQR1108 In aq. phosphate buffer; dimethyl sulfoxide at 30℃; for 18h; pH=8; Enzymatic reaction;
With amine transaminase-200; isopropylamine Enzymatic reaction;

: 556-48-9
1,4-Cyclohexanediol

A: 3114-70-3
trans-1,4-diaminocyclohexane

B: 6850-65-3
p-hydroxycyclohexylamine

Conditions

Conditions	Yield
With ammonia; hydrogen; Co/Fe catalyst at 165 - 195℃; under 101260 Torr; Contact time 20000 - 40000 g.s/mol;	A 51% B 6%

: 556-48-9
1,4-Cyclohexanediol

A: 3114-70-3
trans-1,4-diaminocyclohexane

B: 6850-65-3
p-hydroxycyclohexylamine

C: N-Cyclohexyl-cyclohexane-1,4-diamine

D: 108-91-8
cyclohexylamine

E: 4-(4-amino-cyclohexylamino)-cyclohexanol

F: N-(4-amino-cyclohexyl)-1,4-cyclo-hexanediamine

Conditions

Conditions	Yield
With supercritical ammonia; cobalt catalyst-iron

...Expand

: 7647-01-0
hydrogenchloride

: 64-19-7
acetic acid

: 100-01-6
4-nitro-aniline

colloidal platinum: colloidal platinum

A: 3114-70-3
trans-1,4-diaminocyclohexane

B: 108-91-8
cyclohexylamine

C: 101-83-7
N-cyclohexyl-cyclohexanamine

Conditions

Conditions	Yield
at 65 - 70℃; Hydrogenation;

...Expand

: 64-17-5
ethanol

: 10220-83-4, 6212-72-2, 6133-84-2
cyclohexane-1,4-dione dioxime

sodium: sodium

: 3114-70-3
trans-1,4-diaminocyclohexane

...Expand

: 509142-45-4
(cis-4-benzyloxycarbonylaminocyclohexyl)-carbamic acid benzyl ester

: 3114-70-3
trans-1,4-diaminocyclohexane

Conditions

Conditions	Yield
With hydrogen; 5%-palladium/activated carbon In methanol at 20℃; for 60h;

: 556-48-9
1,4-Cyclohexanediol

: 3114-70-3
trans-1,4-diaminocyclohexane

Conditions

Conditions	Yield
With (carbonyl)(chloro)(hydrido)tris(triphenylphosphine)ruthenium(II); ammonia; 4,5-bis(diphenylphosphino)-9,9-dimethylxanthene In tert-Amyl alcohol at 140℃; under 12001.2 Torr; for 20h; Inert atmosphere; Autoclave; chemoselective reaction;	71 %Chromat.
With (carbonyl)(chloro)(hydrido)tris(triphenylphosphine)ruthenium(II); ammonia; 4,5-bis(diphenylphosphino)-9,9-dimethylxanthene In tert-Amyl alcohol at 140℃; for 20h; Inert atmosphere; Cooling;

: 637-88-7
1,4-Cyclohexanedione

: cis-4-aminocyclohexanol

B: 3114-70-3
trans-1,4-diaminocyclohexane

C: 556-48-9
1,4-Cyclohexanediol

Conditions

Conditions	Yield
Stage #1: 1,4-Cyclohexanedione With keto reductases from Lactobacillus kefir; isopropyl alcohol In aq. phosphate buffer at 30℃; pH=7; Enzymatic reaction; Stage #2: With amine transaminase-200; isopropylamine stereoselective reaction;	A n/a B n/a C n/a

...Expand

: 637-88-7
1,4-Cyclohexanedione

: cis-4-aminocyclohexanol

B: 3114-70-3
trans-1,4-diaminocyclohexane

Conditions

Conditions	Yield
With amine transaminase-200; keto reductases from Lactobacillus kefir; isopropylamine In aq. phosphate buffer at 30℃; for 48h; pH=7.5; Enzymatic reaction; stereoselective reaction;	A n/a B n/a

: 106-50-3
1,4-phenylenediamine

: 3114-70-3
trans-1,4-diaminocyclohexane

Conditions

Conditions	Yield
With hydrogen In tetrahydrofuran at 130℃; under 37503.8 Torr; for 2.5h; Catalytic behavior; Reagent/catalyst; Temperature; Pressure; Autoclave; Green chemistry; chemoselective reaction;	70.5 %Chromat.

: 616-38-6
carbonic acid dimethyl ester

: 106-50-3
1,4-phenylenediamine

A: 3114-70-3
trans-1,4-diaminocyclohexane

B: C8H16N2O2

Conditions

Conditions	Yield
With hydrogen; sodium carbonate at 160℃; under 62256.2 Torr; for 2h; Autoclave;	A 30 %Chromat. B 20 %Chromat.

...Expand

: 96-49-1
[1,3]-dioxolan-2-one

: 106-50-3
1,4-phenylenediamine

A: 3114-70-3
trans-1,4-diaminocyclohexane

B: C9H18N2O3

Conditions

Conditions	Yield
With hydrogen; sodium carbonate at 160℃; under 62256.2 Torr; for 2h; Autoclave;	A 16 %Chromat. B 74 %Chromat.

...Expand

: 3114-70-3
trans-1,4-diaminocyclohexane

: 19207-18-2
1,4-cyclohexyl di-isocyanate

Conditions

Conditions	Yield
With carbon dioxide; triethylamine; trichlorophosphate In dichloromethane	99%

: 64-18-6
formic acid

: 3114-70-3
trans-1,4-diaminocyclohexane

: 35197-79-6
N-(4-formamidocyclohexyl)formamide

Conditions

Conditions	Yield
In toluene at 120℃; for 16h; Inert atmosphere;	99%

: 3114-70-3
trans-1,4-diaminocyclohexane

: 107-13-1
acrylonitrile

: 1142-40-1
N,N'-bis(2-cyanoethyl)cyclohexane-1,4-diamine

Conditions

Conditions	Yield
at 80 - 100℃; for 3h;	95%
Stage #1: trans-1,4-diaminocyclohexane at 80℃; Stage #2: acrylonitrile at 80 - 100℃; for 3h;	92.8%

: 3114-70-3
trans-1,4-diaminocyclohexane

: (4-bromophenyl)-[2-chloro-9-(tetrahydro-pyran-2-yl)-9H-purin-6-yl]amine

: N2-(4-aminocyclohexyl)-N6-(4-bromophenyl)-9-(tetrahydropyran-2-yl)-9H-purine-2,6-diamine

Conditions

Conditions	Yield
In ethylene glycol at 160℃; for 4h; Inert atmosphere; Sealed tube;	94%

: 3114-70-3
trans-1,4-diaminocyclohexane

: (2-chloro-9-cyclopentyl-9H-purin-6-yl)-[4-(2-oxa-6-aza-spiro[3.3]hept-6-yl)-phenyl]-amine

: N2-(4-amino-cyclohexyl)-9-cyclopentyl-N6-[4-(2-oxa-6-aza-spiro[3.3]hept-6-yl)-phenyl]-9H-purine-2,6-diamine

Conditions

Conditions	Yield
In ethylene glycol at 160℃; for 4h; Inert atmosphere; Sealed tube;	94%

: 3114-70-3
trans-1,4-diaminocyclohexane

: (2-chloro-9-cyclopentyl-9H-purin-6-yl)-(6-morpholin-4-yl-pyridin-3-yl)-amine

: N2-(4-amino-cyclohexyl)-9-cyclopentyl-N6-(6-morpholin-4-yl-pyridin-3-yl)-9H-purine-2,6-diamine

Conditions

Conditions	Yield
In ethylene glycol at 160℃; for 4h; Inert atmosphere; Sealed tube;	94%

: 3114-70-3
trans-1,4-diaminocyclohexane

: 207857-15-6
1,3-di(tert-butyloxycarbonyl)-2-(trifluoromethylsulfonyl)guanidine

: C17H32N4O4

Conditions

Conditions	Yield
With triethylamine In dichloromethane at 20℃; for 24h;	94%

: 3114-70-3
trans-1,4-diaminocyclohexane

: 240820-01-3
2-chloro-6-((3-iodobenzyl)amino)-9-cyclopentylpurine

: 2-[trans-(4-aminocyclohexyl)amino]-6-(3-iodobenzylamino)-9-cyclopentylpurine

Conditions

Conditions	Yield
at 140℃; for 18h;	92%

: 3114-70-3
trans-1,4-diaminocyclohexane

: (2-chloro-9-cyclopentyl-9H-purin-6-yl)-(4-pyrrolidin-1-yl-phenyl)amine

: N2-(4-amino-cyclohexyl)-9-cyclopentyl-N6-(4-pyrrolidin-1-yl-phenyl)-9H-purine-2,6-diamine

Conditions

Conditions	Yield
In ethylene glycol at 160℃; for 4h; Inert atmosphere; Sealed tube;	92%

: 3114-70-3
trans-1,4-diaminocyclohexane

: (2-chloro-9-cyclopentyl-9H-purin-6-yl)-(4-morpholin-4-ylmethyl-phenyl)-amine

: N2-(4-amino-cyclohexyl)-9-cyclopentyl-N6-(4-morpholin-4-ylmethyl-phenyl)-9H-purine-2,6-diamine

Conditions

Conditions	Yield
In ethylene glycol at 160℃; for 4h; Inert atmosphere; Sealed tube;	92%

: 3114-70-3
trans-1,4-diaminocyclohexane

: 75-07-0
acetaldehyde

: 762-04-9
phosphonic acid diethyl ester

: C18H40N2O6P2

Conditions

Conditions	Yield
With triethylamine In n-heptan1ol at 70℃; for 8h; Mannich Aminomethylation;	90.1%

...Expand

: 3114-70-3
trans-1,4-diaminocyclohexane

: 1381782-04-2
2-(chloroselenyl)-5-fluorobenzoyl chloride

: 1381781-91-4
C20H16F2N2O2Se2

Conditions

Conditions	Yield
With triethylamine In dichloromethane at 20℃;	89%

: 3114-70-3
trans-1,4-diaminocyclohexane

: 365220-36-6
7,7-dimethyl-2,3-bis(5-carboxythiophen-2-yl)-5,6-bis(trifluoromethyl)-2,5-norbornadiene

polymer, Mn 42700, Mw/Mn 5.77 by GPC; monomer(s): 7,7-dimethyl-2,3-bis(5-carboxythiophen-2-yl)-5,6-bis(trifluoromethyl)-2,5-norbornadiene; 1,4-diaminocyclohexane: polymer, Mn 42700, Mw/Mn 5.77 by GPC; monomer(s): 7,7-dimethyl-2,3-bis(5-carboxythiophen-2-yl)-5,6-bis(trifluoromethyl)-2,5-norbornadiene; 1,4-diaminocyclohexane

Conditions

Conditions	Yield
With diphenylphosphoranyl azide; triethylamine In N,N-dimethyl-formamide at 20℃; for 48h;	88%

: vanadyl(IV) sulfate dihydrate

: 3114-70-3
trans-1,4-diaminocyclohexane

: 7732-18-5
water

: germanium dioxide

: C6H10(NH3)2(2+)*Ge2V4O12(OH)2(2-)*2H2O=[C6H10(NH3)2][Ge2V4O12(OH)2]*2H2O

Conditions

Conditions	Yield
With HF In water High Pressure; GeO2, VOSO4*4H2O, 1,4-diaminocyclohexane, HF, H2O placed into autoclave;heated at 170°C for 7 ds; initial pH was 10, final pH - 9.5; filtered; washed (H2O);	88%

...Expand

: 3114-70-3
trans-1,4-diaminocyclohexane

: [4-(4-benzylpiperazin-1-yl)phenyl](2-chloro-9-cyclopentyl-9H-purin-6-yl)amine

: N2-(4-aminocyclohexyl)-N6-[4-(4-benzylpiperazin-1-yl)phenyl]-9-cyclopentyl-9H-purine-2,6-diamine

Conditions

Conditions	Yield
In ethylene glycol at 160℃; for 4h; Inert atmosphere; Sealed tube;	88%

: 3114-70-3
trans-1,4-diaminocyclohexane

: 99163-12-9
4-(pyridin-4-yl)benzaldehyde

: C30H28N4

Conditions

Conditions	Yield
In acetonitrile at 20℃; for 4h; Reflux;	85%

: 3114-70-3
trans-1,4-diaminocyclohexane

: 945895-34-1
4-bromophenyl-(2-chloro-9-isopropyl-9H-purin-6-yl)amine

: N2-(4-amino-cyclohexyl)-N6-(4-bromophenyl)-9-isopropyl-9H-purine-2,6-diamine

Conditions

Conditions	Yield
In ethylene glycol at 160℃; for 4h; Inert atmosphere; Sealed tube;	85%

: 3114-70-3
trans-1,4-diaminocyclohexane

: (2-chloro-9-cyclopentyl-9H-purin-6-yl)-(4-chlorophenyl)amine

: N2-(4-aminocyclohexyl)-N6-(4-chlorophenyl)-9-cyclopentyl-9H-purine-2,6-diamine

Conditions

Conditions	Yield
In ethylene glycol at 160℃; for 4h; Inert atmosphere; Sealed tube;	84%

: 3114-70-3
trans-1,4-diaminocyclohexane

: 97-00-7
1-chloro-2,4-dinitro-benzene

: N,N'-bis(2,4-dinitrophenyl)cyclohexane-1,4-diamine

Conditions

Conditions	Yield
With triethylamine In N,N-dimethyl-formamide at 20℃; for 24h;	84%

: 3114-70-3
trans-1,4-diaminocyclohexane

: 79-03-8
propionyl chloride

: N,N'-bis(propanoyl)-1,4-cyclohexanediamine

Conditions

Conditions	Yield
With dmap In dichloromethane at 10 - 20℃; for 6h;	83.8%

: 86-98-6
4,7-dichloroquinoline

: 3114-70-3
trans-1,4-diaminocyclohexane

: 289628-25-7
cis-N-(7-chloro-quinolin-4-yl)-cyclohexyl-1,4-diamine

Conditions

Conditions	Yield
at 110℃; for 18h;	82%
Stage #1: 4,7-dichloroquinoline; trans-1,4-diaminocyclohexane at 110℃; for 18h; Inert atmosphere; Stage #2: With sodium hydroxide In water at 20℃;	82%

: 3114-70-3
trans-1,4-diaminocyclohexane

: 125802-46-2
(9-benzyl-2-chloro-9H-purin-6-yl)-(4-bromophenyl)amine

: N2-(4-aminocyclohexyl)-9-benzyl-N6-(4-bromophenyl)-9H-purine-2,6-diamine

Conditions

Conditions	Yield
In ethylene glycol at 160℃; for 4h; Inert atmosphere; Sealed tube;	82%

: 3114-70-3
trans-1,4-diaminocyclohexane

: (2-chloro-9-cyclopentyl-9H-purin-6-yl)-[4-(4-ethyl-piperazin-1-yl)-phenyl]-amine

: N2-(4-aminocyclohexyl)-9-cyclopentyl-N6-[4-(4-ethylpiperazin-1-yl)phenyl]-9H-purine-2,6-diamine

Conditions

Conditions	Yield
In ethylene glycol at 160℃; for 4h; Inert atmosphere; Sealed tube;	82%

: vanadia

: As2O5*3H2O

: 3114-70-3
trans-1,4-diaminocyclohexane

: 7664-39-3
hydrogen fluoride

: [1,4-diaminocyclohexane(+2H)]0.5[(VO)(HAsO4)F]

Conditions

Conditions	Yield
In water; butan-1-ol High Pressure; V2O3 and As2O5 were dissolved in mixt. of H2O and butanol; HF was added;diaminocyclohexane was added in order to fix pH 1.5; stirred; sealed in pressure vessel; heated at 170°C for 5 d; slowly cooled to room temp.; elem. anal.;	80%

...Expand

: 3114-70-3
trans-1,4-diaminocyclohexane

: 5965-65-1, 42776-28-3, 52762-22-8
O-α-D-glucopyranosyl-(1-4)-D-glucono-1,5-lactone

: 1488347-19-8
6-maltobionamidocyclohexyl amine

Conditions

Conditions	Yield
In N,N-dimethyl-formamide at 0 - 20℃; for 12h; Inert atmosphere;	79.5%

: 3114-70-3
trans-1,4-diaminocyclohexane

: 4-(bromophenyl)(2-chloro-9-cyclopentyl-9H-purin-6-yl)amine

: N2-(4-aminocyclohexyl)-N6-(4-bromophenyl)-9-cyclopentyl-9H-purine-2,6-diamine

Conditions

Conditions	Yield
In ethylene glycol at 160℃; for 4h; Inert atmosphere; Sealed tube;	79%

: 3114-70-3
trans-1,4-diaminocyclohexane

: 5965-65-1, 42776-28-3, 52762-22-8
lactobionolactone

: 1488333-49-8
6-lactobionamido cyclohexylamine

Conditions

Conditions	Yield
In N,N-dimethyl-formamide at 0 - 20℃; for 12h; Inert atmosphere;	78.7%

: (dimethylglyoxime)2(H2O)CoMe

: 75-09-2
dichloromethane

: 3114-70-3
trans-1,4-diaminocyclohexane

: [(cobalt(III)(methyl)(dimethylglyoxime(-H))2)2(1,6-diaminohexane)]*1.5CH2Cl2

Conditions

Conditions	Yield
In methanol soln. of Co complex (0.31 mmol) added to soln. of C6H4(NH2)2 (0.15 mmol), filtered, H2O added, solvent. evapd. partially, ppt. filtered, dissolved in CH2Cl2; crystd. by slow diffusion in n-heptane; elem. anal.;	77%

...Expand

: 3114-70-3
trans-1,4-diaminocyclohexane

: 1376771-60-6
1-oxa-3,6-dithiacycloheptane

: 3,3'-(cyclohexane-1,4-diyl)di-1,5,3-dithiazepane

Conditions

Conditions	Yield
With samarium(III) chloride hexahydrate In ethanol; chloroform at 20℃; for 3.5h; Inert atmosphere;	77%

1,4-Cyclohexanediamine Specification

The 1,4-Cyclohexanediamine, with cas registry number 3114-70-3, has the systematic name of cyclohexane-1,4-diamine. And its IUPAC name is the same one. Besides this, it is also called Cyclohexane-1,4-diamine. What's more, its EINECS is 221-483-6.

Physical properties about this chemical are: (1)ACD/LogP: -0.26; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -4.35; (4)ACD/LogD (pH 7.4): -3.99; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 2; (10)#H bond donors: 4; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 6.48 Å²; (13)Index of Refraction: 1.483; (14)Molar Refractivity: 34.77 cm³; (15)Molar Volume: 121.5 cm³; (16)Polarizability: 13.78×10^-24cm³; (17)Surface Tension: 37 dyne/cm; (18)Enthalpy of Vaporization: 43.56 kJ/mol; (19)Vapour Pressure: 0.342 mmHg at 25°C.

When you are using this chemical, please be cautious about it as the following:
The 1,4-Cyclohexanediamine is harmful if swallowed. And it may cause burns. When use it, wear suitable protective clothing, gloves and eye/face protection. If contact with eyes, rinse immediately with plenty of water and seek medical advice. In case of accident or if you feel unwell, seek medical advice immediately (show the label whenever possible.)

You can still convert the following datas into molecular structure:
(1)SMILES: NC1CCC(N)CC1
(2)InChI: InChI=1/C6H14N2/c7-5-1-2-6(8)4-3-5/h5-6H,1-4,7-8H2
(3)InChIKey: VKIRRGRTJUUZHS-UHFFFAOYAD
(4)Std. InChI: InChI=1S/C6H14N2/c7-5-1-2-6(8)4-3-5/h5-6H,1-4,7-8H2
(5)Std. InChIKey: VKIRRGRTJUUZHS-UHFFFAOYSA-N

The toxicity data is as follows:

Organism	Test Type	Route	Reported Dose (Normalized Dose)	Effect	Source
rat	LCLo	inhalation	2400mg/m3/4H (2400mg/m3)		Toxicologist. Vol. 12, Pg. 357, 1992.

Product Name

1,4-Cyclohexanediamine

Synthetic route

1,4-Cyclohexanediamine Specification

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