2-[Hydroxy(imino)methyl]cyclohexan-1-aminium

Base Information

• Chemical Name: 2-[Hydroxy(imino)methyl]cyclohexan-1-aminium
• CAS No.: 115014-77-2
• Molecular Formula: C₇H₁₄N₂O
• Molecular Weight: 142.201
• Hs Code.: 29242990
• DSSTox Substance ID: DTXSID40921588
• Wikidata: Q82894525
• Mol file: 115014-77-2.mol

Synonyms:DTXSID40921588;2-[Hydroxy(imino)methyl]cyclohexan-1-aminium

Chemical Property of 2-[Hydroxy(imino)methyl]cyclohexan-1-aminium

Chemical Property:

• Vapor Pressure: 0mmHg at 25°C
• Melting Point: 124-127 °C
• Refractive Index: 1.4880 (estimate)
• Boiling Point: 321.8°Cat760mmHg
• Flash Point: 148.4°C
• PSA: 69.11000
• Density: g/cm³
• LogP: 1.38980
• XLogP3: 0.2
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 143.118438106
• Heavy Atom Count: 10
• Complexity: 136

Purity/Quality:

98%min ^*data from raw suppliers

cis-2-AminocyclohexanecarboxamideHydrochloride ^*data from reagent suppliers

Safty Information:

• Hazard Codes: C,Xn
• Statements: 34-20/21/22-36-22
• Safety Statements: 45-36/37/39-26

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CCC(C(C1)C(=O)N)[NH3+]
• Isomeric SMILES: C1CC[C@@H]([C@@H](C1)C(=O)N)[NH3+]

Technology Process of 2-[Hydroxy(imino)methyl]cyclohexan-1-aminium

There total 23 articles about 2-[Hydroxy(imino)methyl]cyclohexan-1-aminium 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%

((1R,2S)-2-Carbamoyl-cyclohexyl)-carbamic acid benzyl ester → (1S,2R)-2-aminocyclohexanecarboxamide (313055-95-7,115014-77-2)

Guidance literature:

With hydrogen; palladium on activated charcoal; In methanol;

DOI:10.1016/S0960-894X(00)00475-3

Reference yield: 95.0%

trans-2-(benzyloxycarbonylamino)cyclohexanecarboxamide (132724-02-8) → trans-2-aminocyclohexane-1-carboxamide (110901-40-1,115014-77-2)

Guidance literature:

With hydrogen; palladium on activated charcoal; In ethanol; at 22 ℃; under 760 Torr;

Reference yield: 73.0%

cis-2-(benzyloxycarbonylamino)cyclohexanecarboxamide (61935-52-2) → cis-2-aminocyclohexane-1-carboxamide (24717-01-9,115014-77-2)

Guidance literature:

With hydrogen; palladium on activated charcoal; In ethanol; at 22 ℃; under 760 Torr;

upstream raw materials:

2-amino-cyclohexanecarboxylic acid ethyl ester

ammonia

ethyl cis-2-amino-1-cyclohexanecarboxylate

cis-2-(benzyloxycarbonylamino)cyclohexanecarboxamide

Downstream raw materials:

1,2-bis(acetamido)cyclohexane

1,2-cyclohexylenediamine dihydrochloride

4,5,6,7-Tetrahydrobenzimidazolidin-2-one

2,3-diphenyl-4a,5,6,7,8,8a-hexahydroquinoxaline

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