3,3,5-Trimethylcyclohexylamine

Base Information

• Chemical Name: 3,3,5-Trimethylcyclohexylamine
• CAS No.: 15901-42-5
• Molecular Formula: C9H19 N
• Molecular Weight: 141.257
• Hs Code.: 2921300090
• European Community (EC) Number: 251-308-9,240-041-3,251-309-4
• DSSTox Substance ID: DTXSID10884858
• Nikkaji Number: J149.310H
• Mol file: 15901-42-5.mol

Synonyms:3,3,5-Trimethylcyclohexylamine;15901-42-5;3,3,5-Trimethylcyclohexanamine;Cyclohexanamine, 3,3,5-trimethyl-;3,3,5-trimethylcyclohexan-1-amine;EINECS 240-041-3;EINECS 251-308-9;EINECS 251-309-4;(cis)-3,3,5-Trimethylcyclohexylamine;MFCD00019379;32958-55-7;(trans)-3,3,5-Trimethylcyclohexylamine;trimethylcyclohexylamin;SCHEMBL931952;3,3,5-Trimethyl cyclohexylamine;DTXSID10884858;3,3,5-Trimethylcyclohexanamine #;AKOS000153230;AKOS016347484;3,3,5-Trimethylcyclohexylamine, 95%;AB86236;BS-21592;FT-0637295;T0601;(1R,5R)-3,3,5-trimethylcyclohexan-1-amine;EN300-33073;W-110419;F2190-0382

Chemical Property of 3,3,5-Trimethylcyclohexylamine

Chemical Property:

• Melting Point: -79.9°C
• Refractive Index: 1.4520-1.4560
• Boiling Point: 172.2°Cat760mmHg
• PKA: 10.69±0.70(Predicted)
• Flash Point: 32.9°C
• PSA: 26.02000
• Density: 0.819g/cm³
• LogP: 2.86020
• XLogP3: 2.4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 141.151749610
• Heavy Atom Count: 10
• Complexity: 118

Purity/Quality:

98%min ^*data from raw suppliers

3,3,5-Trimethylcyclohexylamine >98.0%(GC)(T) ^*data from reagent suppliers

Safty Information:

• Statements: 10-34
• Safety Statements: 26-36/37/39

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1CC(CC(C1)(C)C)N

Technology Process of 3,3,5-Trimethylcyclohexylamine

There total 13 articles about 3,3,5-Trimethylcyclohexylamine 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:

isophoronenitrile (7027-11-4) → 3-cyano-3,5,5-trimethyl cyclohexylimine (133117-08-5) + C10H22N2 (19017-43-7) + C11H24N2 + 1,3,3-trimethyl-6-azabicyclo[3.2.1]octane (53460-46-1) + 3,5,5-trimethyl-cyclohex-2-enylamine (54920-40-0) + 3,3,5-trimethylcyclohexanamine (15901-42-5)

Guidance literature:

With ammonia; hydrogen; at 80 - 130 ℃; Product distribution / selectivity;

Reference yield:

3,5,5-Trimethylcyclohex-2-en-1-one (78-59-1) → 1,5,5-trimethylcyclohexene (503-46-8) + di-(3,3,5-trimethylcyclohexyl)amine (36101-73-2) + 3,3,5-trimethylcyclohexanamine (15901-42-5) + 1,1,3-trimethylcyclohexane (3073-66-3,150927-19-8,150927-30-3)

Guidance literature:

With ammonia; hydrogen; RPSIC; at 220 ℃; under 26252.1 Torr; Product distribution; var. temp., other catalyst;

Reference yield:

3,5,5-trimethyl-cyclohex-2-enone oxime (2157-58-6) → (1S,2S,6R)-2,4,4-Trimethyl-7-aza-bicyclo[4.1.0]heptane (54920-32-0,54933-70-9,55903-16-7) + 3,5,5-trimethyl-cyclohex-2-enylamine (54920-40-0) + cis-3,5,5-trimethylcyclohexylamine (15901-42-5,32958-55-7,32958-56-8) + trans-2,4,4-trimethyl-7-azabicyclo<4.1.0>heptane (54920-32-0,54933-70-9,55903-16-7)

Guidance literature:

With aluminium hydride; In tetrahydrofuran; for 1h; Further byproducts given; Heating;

upstream raw materials:

3,5,5-Trimethylcyclohex-2-en-1-one

ammonium formate

formamide

dihydroisophorone

Downstream raw materials:

(3,3,5-trimethyl-cyclohexyl)-(3,3,5-trimethyl-cyclohexyliden)-amine

3-(2-{[4-(trifluoromethoxy)phenyl]amino}-1-[(1R,5R)-3,3,5-trimethylcyclohexyl]-1H-benzimidazol-5-yl)propanoic acid