2-Cyclohexylethylamine hydrochloride

Base Information

• Chemical Name: 2-Cyclohexylethylamine hydrochloride
• CAS No.: 5471-55-6
• Molecular Formula: C8H18ClN
• Molecular Weight: 163.691
• Hs Code.: 2903191090
• European Community (EC) Number: 809-334-9
• NSC Number: 44816,27108
• DSSTox Substance ID: DTXSID80203178
• Mol file: 5471-55-6.mol

Synonyms:2-Cyclohexylethylamine hydrochloride;5471-55-6;2-cyclohexylethanamine hydrochloride;Cyclohexaneethylamine, hydrochloride;2-CYCLOHEXYL-ETHYLAMINE HYDROCHLORIDE;2-cyclohexylethanamine;hydrochloride;Cyclohexaneethanamine, hydrochloride;2-cyclohexylethan-1-amine hydrochloride;NSC 27108;NSC 44816;2-cyclohexylethylamine HCl;beta-Cyclohexylethylamine hydrochloride;(2-Cyclohexylethyl)amine hydrochloride;MFCD01734731;SCHEMBL389646;2-CYCLOHEXYLETHANAMINE HCL;DTXSID80203178;AMY38665;NSC27108;NSC44816;NSC-27108;NSC-44816;AKOS015844037;AB09885;CYCLOHEXANEETHANAMINE HYDROCHLORIDE;DS-10620;LS-56841;SY024342;FT-0675978;EN300-35785;2-cyclohexyl-ethylamine hydrochloride, AldrichCPR;J-509242;Z367451182

Chemical Property of 2-Cyclohexylethylamine hydrochloride

Chemical Property:

• Vapor Pressure: 1.53mmHg at 25°C
• Boiling Point: 169.6 °C at 760 mmHg
• Flash Point: 51 °C
• PSA: 26.02000
• Density: 0.861 g/cm³
• LogP: 3.41780
• Storage Temp.: Sealed in dry,Room Temperature
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 163.1127773
• Heavy Atom Count: 10
• Complexity: 65

Purity/Quality:

95% , ^*data from raw suppliers

2-CyclohexylethylamineHydrochloride ^*data from reagent suppliers

Safty Information:

• Statements: 36/37/38
• Safety Statements: 26-36/37/39

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CCC(CC1)CCN.Cl

Technology Process of 2-Cyclohexylethylamine hydrochloride

There total 6 articles about 2-Cyclohexylethylamine hydrochloride 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: 100.0%

2-(2-cyclohexylethyl)isoindoline-1,3-dione (41763-92-2) → 2-cyclohexylethan-1-amine hydrochloride (5471-55-6)

Guidance literature:

2-(2-cyclohexylethyl)isoindoline-1,3-dione; With hydrazine hydrate; In ethanol; at 20 ℃; for 3h; Reflux;

With hydrogenchloride; In ethanol; water; at 20 ℃; for 0.166667h; pH=2;

Reference yield: 70.0%

2-cyclohexylacetylene (931-48-6) → 2-cyclohexylethan-1-amine hydrochloride (5471-55-6)

Guidance literature:

2-cyclohexylacetylene; With bis(N-2,6-diisoprpylphenylbenzamidato)bis(dimethylamido)titanium (IV); t-butyldimethylsilyl amine; In benzene-d6; at 70 ℃; for 24h; Inert atmosphere; Glovebox;

With 2.5% wt Pd/C; hydrogen; In benzene-d6; at 20 ℃; for 40h; under 760.051 Torr;

With hydrogenchloride; In ethanol; benzene-d6; ethyl acetate;

DOI:10.1021/jacs.7b13783

Reference yield: 68.0%

phenethylamine (64-04-0) → 2-cyclohexylethan-1-amine hydrochloride (5471-55-6)

Guidance literature:

With hydrogenchloride; hydrogen; platinum(IV) oxide; In ethanol; for 7h; under 2585.7 Torr;

DOI:10.1021/jm00352a020

upstream raw materials:

phenethylamine

2-(2-cyclohexylethyl)isoindoline-1,3-dione

2-(1-cyclohexenyl)ethylamine

cyclohexylethan-1-ol

Downstream raw materials:

3-(1H-imidazol-4-yl)propyl 2-cyclohexylethylcarbamate hydrogen maleate

c-hexylethyl isocyanate

C₁₈H₂₁ClN₂O₂

N-[1-({4-[(2-cyclohexylethyl)carbamoyl]benzene}sulfonyl)piperidin-4-yl]carbamic acid tert-butyl ester

Refernces

• 1、 Lui, Erica K. J.,Brandt, Jason W.,Schafer, Laurel L.. "Regio- and stereoselective hydroamination of alkynes using an ammonia surrogate: Synthesis of N -Silylenamines as reactive synthons". supporting information. p. 4973 - 4976. Retrieved 2018/04/24.
• 2、 -. "HEPATITIS B CORE PROTEIN ALLOSTERIC MODULATORS". Paragraph 000219. . Retrieved 2015/10/05.