1-Cyclohexylpropan-2-amine

Base Information

• Chemical Name: 1-Cyclohexylpropan-2-amine
• CAS No.: 54704-34-6
• Molecular Formula: C9H19 N
• Molecular Weight: 141.257
• Hs Code.: 2921300090
• NSC Number: 44903
• UNII: MD9NVM57VJ
• DSSTox Substance ID: DTXSID70875843
• Wikipedia: Norpropylhexedrine
• Wikidata: Q18354566
• ChEMBL ID: CHEMBL277024
• Mol file: 54704-34-6.mol

Synonyms:1-cyclohexylpropan-2-amine;54704-34-6;2-Amino-3-cyclohexylpropane;Perhydroamphetamine;NORPROPYLHEXEDRINE;CHEMBL277024;2-Cyclohexyl-1-methyl-ethylamine;NSC-44903;MD9NVM57VJ;Perhydro-amphetamin;NSC44903;SCHEMBL612657;alpha-Methylcyclohexaneethanamine;DTXSID70875843;CCA61705;BDBM50028635;(+/-)-2-Amino-1-cyclohexylpropane;AKOS011598259;2-Amino-1-cyclohexylpropane, (+/-)-;FT-0724359;CYCLOHEXANEETHANAMINE, .ALPHA.-METHYL-;A24408;EN300-296336;N13140;Q18354566

Chemical Property of 1-Cyclohexylpropan-2-amine

Chemical Property:

• Vapor Pressure: 0.848mmHg at 25°C
• Boiling Point: 181.5°C at 760 mmHg
• Flash Point: 58.3°C
• PSA: 26.02000
• Density: 0.858g/cm³
• LogP: 3.00430
• XLogP3: 3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 141.151749610
• Heavy Atom Count: 10
• Complexity: 84.7

Purity/Quality:

99% ^*data from raw suppliers

1-Cyclohexylpropan-2-amine ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(CC1CCCCC1)N

Technology Process of 1-Cyclohexylpropan-2-amine

There total 10 articles about 1-Cyclohexylpropan-2-amine 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: 87.0%

1-methyl-2-cyclohexyl nitroethylene (26226-49-3) → L-1-methyl-2-cyclohexylethylamine (54704-34-6)

Guidance literature:

With lithium aluminium tetrahydride; In diethyl ether; for 3h; Inert atmosphere; Reflux;

DOI:10.1039/c1ob06251d

Reference yield:

(2-nitropropyl)benzene (17322-34-8) → L-1-methyl-2-cyclohexylethylamine (54704-34-6) + N-Ethylidene-1-methyl-2-cyclohexylethylamine + N-Ethylidene-1-methyl-2-phenylethylamine (145050-40-4) + 2-amino-1-phenylpropane (60-15-1,156-34-3,51-64-9,300-62-9,17108-96-2,96332-84-2)

Guidance literature:

With lithium methanolate; hydrogen; [(norbornadiene)rhodium(I)chloride]2; 1,2-bis(diphenylphosphino)propane; In methanol; ethanol; at 60 ℃; for 16h; under 51714.8 Torr;

DOI:10.1016/S0040-4020(01)89056-6

Reference yield:

2-amino-1-phenylpropane (60-15-1,156-34-3,51-64-9,300-62-9,17108-96-2,96332-84-2) → L-1-methyl-2-cyclohexylethylamine (54704-34-6)

Guidance literature:

With perchloric acid; palladium; acetic acid; at 80 - 90 ℃; Hydrogenation;

upstream raw materials:

1-cyclohexenylacetone

2-amino-1-phenylpropane

(2-nitropropyl)benzene

4-cyclohexyl-butan-2-one

Downstream raw materials:

C₁₂H₂₃NO₂

(S)-(+)-1-cyclohexyl-2-propanamine

(R)-(-)-1-cyclohexyl-2-propanamine

Refernces

• 1、 Harsy, Stephen G.. "HOMOGENEOUS HYDROGENATION OF NITROALIPHATIC COMPOUNDS CATALYZED BY GROUP VIII TRANSITION METAL PHOSPHINE COMPLEXES". . p. 7403 - 7412. Retrieved 2007/10/02.
• 2、 BLICKE,JOHNSON. "1-cyclo-alkyl-2-aminopropanes and ethanes.". . p. 443 - 445. Retrieved 2007/10/05.