[4-[(2-Methylpropan-2-yl)oxycarbonylamino]cyclohexyl]azanium

Base Information

• Chemical Name: [4-[(2-Methylpropan-2-yl)oxycarbonylamino]cyclohexyl]azanium
• CAS No.: 195314-59-1
• Molecular Formula: C11H22N2O2
• Molecular Weight: 214.308
• Hs Code.: 29225090
• DSSTox Substance ID: DTXSID10941298
• Mol file: 195314-59-1.mol

Synonyms:DTXSID10941298;[4-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexyl]azanium;A813796;4-{[tert-Butoxy(hydroxy)methylidene]amino}cyclohexan-1-aminium;[4-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]cyclohexyl]ammonium

Chemical Property of [4-[(2-Methylpropan-2-yl)oxycarbonylamino]cyclohexyl]azanium

Chemical Property:

• Vapor Pressure: 0.000286mmHg at 25°C
• Refractive Index: 1.488
• Boiling Point: 322.073 °C at 760 mmHg
• PKA: 12.44±0.40(Predicted)
• Flash Point: 148.585 °C
• PSA: 78.34000
• Density: 1.029 g/cm³
• LogP: 2.32750
• Storage Temp.: Keep in dark place,Inert atmosphere,Room temperature
• XLogP3: 1.3
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 215.175952981
• Heavy Atom Count: 15
• Complexity: 215

Purity/Quality:

97% ^*data from raw suppliers

N-Boc-1,4-cyclohexanediamine ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi,N
• Statements: 51/53
• Safety Statements: 61

MSDS Files:

Useful:

• Canonical SMILES: CC(C)(C)OC(=O)NC1CCC(CC1)[NH3+]

Technology Process of [4-[(2-Methylpropan-2-yl)oxycarbonylamino]cyclohexyl]azanium

There total 11 articles about [4-[(2-Methylpropan-2-yl)oxycarbonylamino]cyclohexyl]azanium 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: 96.0%

tert-butyl ((1S,4S)-4-(1,3-dioxoisoindolin-2-yl)cyclohexyl)carbamate → tert-butyl (4-aminocyclohexyl)carbamate (195314-59-1)

Guidance literature:

With hydrazine hydrate; In ethanol; at 80 ℃; for 2h; Inert atmosphere;

Reference yield: 69.0%

di-tert-butyl dicarbonate (24424-99-5) + trans-1,4-diaminocyclohexane (3114-70-3) → tert-butyl (4-aminocyclohexyl)carbamate (195314-59-1)

Guidance literature:

In tetrahydrofuran; tert-butylmethyl ether; water;

Reference yield: 69.0%

→ tert-butyl (4-aminocyclohexyl)carbamate (195314-59-1) + 3-Chloro-benzo[b]thiophene-2-carboxylic acid (4'-cyano-6-methoxy-biphenyl-3-ylmethyl)-(4-methylaminocyclohexyl)-amide hydrochloride (364590-91-0)

Guidance literature:

upstream raw materials:

di-tert-butyl dicarbonate

trans-1,4-diaminocyclohexane

(4-azido-cyclohexyl)-carbamic acid tert-butyl ester

trans-1,4-cyclohexyldiamine

Downstream raw materials:

C₂₅H₄₂ClN₇O₄

(4-tert-butoxycarbonylamino-cyclohexyl)-carbamic acid phenyl ester

(R)-3-[4-(4-tert-butoxycarbonylamino-cyclohexylamino)-[1,3,5]triazin-2-ylamino]-pyrrolidine-1-carboxylic acid allyl ester

[4-(6-methoxy-3-nitro-pyridin-2-ylamino)-cyclohexyl]-carbamic acid tert-butyl ester