1-(Aminomethyl)cyclohexan-1-ol

Base Information

• Chemical Name: 1-(Aminomethyl)cyclohexan-1-ol
• CAS No.: 4000-72-0
• Molecular Formula: C7H15NO
• Molecular Weight: 129.202
• Hs Code.: 2922199090
• European Community (EC) Number: 223-648-8,275-410-8
• DSSTox Substance ID: DTXSID80193065
• Nikkaji Number: J217.820F
• Wikidata: Q72439377
• ChEMBL ID: CHEMBL18585
• Mol file: 4000-72-0.mol

Synonyms:1-(Aminomethyl)cyclohexanol;4000-72-0;1-(Aminomethyl)cyclohexan-1-ol;1-Aminomethyl-cyclohexanol;1-(aminomethyl)-cyclohexanol;(Aminomethyl)cyclohexan-1-ol;1-Aminomethyl-1-cyclohexanol;CHEMBL18585;71412-02-7;EINECS 223-648-8;EINECS 275-410-8;amino methyl cyclohexanol;SCHEMBL56742;1-(Aminomethyl)cyclohexanol #;Cyclohexanol, 1-(aminomethyl)-;1-(aminomethyl)-cyclohexan-1-ol;DTXSID80193065;BDBM50028833;MFCD06213680;AKOS000123893;Cyclohexanol,(aminomethyl)-(6ci,9ci);SB84278;BS-11814;A6683;CS-0452099;FT-0654686;EN300-61971;C78197;F2189-0867;Z363991148

Chemical Property of 1-(Aminomethyl)cyclohexan-1-ol

Chemical Property:

• Melting Point: 122-123℃
• Boiling Point: 219.5 °C at 760 mmHg
• PKA: 12.99±0.20(Predicted)
• Flash Point: 86.6 °C
• PSA: 46.25000
• Density: 1.02 g/cm³
• LogP: 1.34060
• Storage Temp.: Keep in dark place,Inert atmosphere,Room temperature
• XLogP3: 0.2
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 129.115364102
• Heavy Atom Count: 9
• Complexity: 86.9

Purity/Quality:

99% ^*data from raw suppliers

1-(Aminomethyl)-cyclohexanol ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: C1CCC(CC1)(CN)O

Technology Process of 1-(Aminomethyl)cyclohexan-1-ol

There total 21 articles about 1-(Aminomethyl)cyclohexan-1-ol 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: 99.0%

(4R,5S)-3-(1-Hydroxy-cyclohexylmethyl)-4,5-diphenyl-oxazolidin-2-one (123934-17-8) → 1-aminomethylcyclohexanol (4000-72-0)

Guidance literature:

With ammonium formate; palladium on activated charcoal; In methanol; for 1h; Heating;

DOI:10.1021/jo00285a005

Reference yield: 98.0%

Benzyl-(1-hydroxy-cyclohexylmethyl)-carbamic acid benzyl ester (123934-01-0) → 1-aminomethylcyclohexanol (4000-72-0)

Guidance literature:

With ammonium formate; palladium on activated charcoal; In methanol; for 1.5h; Heating;

DOI:10.1021/jo00285a005

Reference yield:

1-hydroxy-1-cyclohexanecarbonitrile (931-97-5) → 1-aminomethylcyclohexanol (4000-72-0)

Guidance literature:

With lithium aluminium tetrahydride;

DOI:10.1021/ja01127a518

upstream raw materials:

1-oxaspiro(2.5)octane

1-aza-spiro[2.5]octane

1,2-epoxy-cyclohexanecarbonitrile

1-hydroxy-1-cyclohexanecarbonitrile

Downstream raw materials:

2-Chloro-5-(3,5-dioxo-4,5-dihydro-3H-[1,2,4]triazin-2-yl)-N-(1-hydroxy-cyclohexylmethyl)-benzamide

{4-[(R)-2-{[Dimethylcarbamoylmethyl-(1-hydroxy-cyclohexylmethyl)-carbamoyl]-methyl}-3-((S)-4-isopropyl-2-oxo-oxazolidin-3-yl)-3-oxo-propyl]-thiazol-2-yl}-carbamic acid 2,2,2-trichloro-ethyl ester

Refernces

• 1、 -. "HETEROCYCLIC COMPOUNDS AND USE THEREOF AS MODULATORS OF TYPE III RECEPTOR TYROSINE KINASES". Paragraph 0567. . Retrieved 2016/08/03.
• 2、 -. "Method for inhibiting neoplastic cells by exposure to substituted N-cycloalkylmethyl-1-H-pyrazolo (3,4-B) quinolone-4 amines". . . Retrieved 2008/06/13.