Cyclohexane-1,4-diamine

Base Information

• Chemical Name: Cyclohexane-1,4-diamine
• CAS No.: 3114-70-3
• Molecular Formula: C6H14N2
• Molecular Weight: 114.191
• Hs Code.: 2921300090
• European Community (EC) Number: 221-483-6,640-359-6,640-403-4
• DSSTox Substance ID: DTXSID30185071,DTXSID70884854,DTXSID90883869
• Nikkaji Number: J23.474E,J81.889E,J80.529G
• Wikidata: Q24417329
• Mol file: 3114-70-3.mol

Synonyms:(cis)-isomer of 1,4-diaminocyclohexane;(trans)-isomer of 1,4-diaminocyclohexane;1,4-cyclohexyldiamine;1,4-diaminocyclohexane;2HCl;cis-1,4-diaminocyclohexane

Chemical Property of Cyclohexane-1,4-diamine

Chemical Property:

• Boiling Point: 199.4 °C at 760 mmHg
• PKA: 10.78±0.70(Predicted)
• Flash Point: 80 °C
• PSA: 52.04000
• Density: 0.939 g/cm³
• LogP: 1.61560
• Storage Temp.: Keep in dark place,Inert atmosphere,Room temperature
• Solubility.: Chloroform (Sparingly), Methanol (Slightly)
• XLogP3: -0.3
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 114.115698455
• Heavy Atom Count: 8
• Complexity: 54.9

Purity/Quality:

99% ^*data from raw suppliers

1,4-Cyclohexanediamine ^*data from reagent suppliers

Safty Information:

• Statements: 22-34
• Safety Statements: 23-26-36/37/39-45

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CC(CCC1N)N
• Uses: 1,4-cyclohexanediamine be used as organic intermediates and epoxy curing agents.

Technology Process of Cyclohexane-1,4-diamine

There total 13 articles about Cyclohexane-1,4-diamine which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 90.0%

1,4-Cyclohexanedione (637-88-7) → trans-1,4-diaminocyclohexane (3114-70-3)

Guidance literature:

With Co-doped zirconium dioxide; ammonia; hydrogen; N-butylamine; In methanol; at 99.84 ℃; for 10h; chemoselective reaction; Autoclave;

DOI:10.1039/d0gc02280b

Reference yield: 51.0%

1,4-Cyclohexanediol (556-48-9) → trans-1,4-diaminocyclohexane (3114-70-3) + p-hydroxycyclohexylamine (6850-65-3)

Guidance literature:

With ammonia; hydrogen; Co/Fe catalyst; at 165 - 195 ℃; under 101260 Torr; Contact time 20000 - 40000 g.s/mol;

Reference yield:

1,4-Cyclohexanedione (637-88-7) → cis-4-aminocyclohexanol + trans-1,4-diaminocyclohexane (3114-70-3) + 1,4-Cyclohexanediol (556-48-9)

Guidance literature:

1,4-Cyclohexanedione; With keto reductases from Lactobacillus kefir; isopropyl alcohol; In aq. phosphate buffer; at 30 ℃; pH=7; Enzymatic reaction;

With amine transaminase-200; isopropylamine; stereoselective reaction;

DOI:10.1002/cctc.201900733

upstream raw materials:

1,4-Cyclohexanediol

hydrogenchloride

acetic acid

4-nitro-aniline

Downstream raw materials:

1,4-bis-(morpholine-4-sulfonylamino)-cyclohexane

N.N'-Bis--1.4-cyclohexyl-diamin

1,4-Cyclohexanediylbis(ethyl carbamate)

trans-1,4-cyclohexane diisocyanate

Refernces

• 1、 Cao, Junya,Cao, Yan,Chen, Jiaqiang,Han, Fenggang,He, Peng,Huang, Xiaoyu,Li, Huiquan,Wang, Liguo,Yang, Huanhuan. "Ru/g-C3N4as an efficient catalyst for selective hydrogenation of aromatic diamines to alicyclic diamines". . p. 16515 - 16525. Retrieved 2020/05/13.
• 2、 Baud, Damien,Jeffries, Jack W. E.,Moody, Thomas S.,Ward, John M.,Hailes, Helen C.. "A metagenomics approach for new biocatalyst discovery: Application to transaminases and the synthesis of allylic amines". . p. 1134 - 1143. Retrieved 2017/08/14.