trans-4-Aminocyclohexanol

Base Information

• Chemical Name: trans-4-Aminocyclohexanol
• CAS No.: 6850-65-3
• Molecular Formula: C6H13 N O
• Molecular Weight: 115.175
• Hs Code.: 2922199090
• European Community (EC) Number: 229-943-8,248-492-8
• UNII: D6E7B62984,3K079SXM0E
• DSSTox Substance ID: DTXSID70218630,DTXSID001312113
• Nikkaji Number: J250.522C,J265.931J,J89.363C
• Wikidata: Q27257348,Q27276167
• Mol file: 6850-65-3.mol

Synonyms:(cis)-isomer of 4-aminocyclohexanol;(trans)-isomer of 4-aminocyclohexanol;4-aminocyclohexanol;HCl(cis)-isomer of 4-aminocyclohexanol;HCl(trans)-isomer of 4-aminocyclohexanol;oxalate(cis)-isomer of 4-aminocyclohexanol;oxalate(trans)-isomer of 4-aminocyclohexanol

Chemical Property of trans-4-Aminocyclohexanol

Chemical Property:

• Melting Point: 64-65 °C
• Boiling Point: 235-245 °C
• PKA: 15.12±0.40(Predicted)
• PSA: 46.25000
• Density: 1.037±0.06 g/cm3(Predicted)
• LogP: 0.94890
• Storage Temp.: Keep in dark place,Inert atmosphere,Room temperature
• XLogP3: -0.1
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 115.099714038
• Heavy Atom Count: 8
• Complexity: 66.9

Purity/Quality:

98%,99%, ^*data from raw suppliers

4-Aminocyclohexan-1-ol 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CC(CCC1N)O

Technology Process of trans-4-Aminocyclohexanol

There total 19 articles about trans-4-Aminocyclohexanol 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: 95.0%

C14H17F3N2O → p-hydroxycyclohexylamine (6850-65-3)

Guidance literature:

With chloro-trimethyl-silane; lithium chloride; In N,N-dimethyl-formamide; at 60 ℃; for 12h;

DOI:10.1021/jacs.0c09403

Reference yield: 51.0%

1,4-Cyclohexanediol (556-48-9) → trans-1,4-diaminocyclohexane (3114-70-3) + p-hydroxycyclohexylamine (6850-65-3)

Guidance literature:

With ammonia; hydrogen; Co/Fe catalyst; at 165 - 195 ℃; under 101260 Torr; Contact time 20000 - 40000 g.s/mol;

Reference yield:

4-nitro-phenol (100-02-7,78813-13-5,89830-32-0) → p-hydroxycyclohexylamine (6850-65-3) + cyclohexanol (108-93-0)

Guidance literature:

With C₂₁H₂₇ClN₃OPRu⁽¹⁺⁾; potassium tert-butylate; hydrogen; In toluene; at 170 ℃; for 72h; under 33615.5 Torr; Autoclave;

DOI:10.1021/acscatal.7b01316

upstream raw materials:

1,4-Cyclohexanediol

4-nitro-phenol

4-(4-methylphenoxy)aniline

1,4-phenylenediamine

Downstream raw materials:

cis-(N-4-hydroxycyclohexyl)acetamide

N-<2-Chlor-aethyl>-N'-<4ξ-hydroxy-cyclohexyl>-harnstoff

trans-2-(4-hydroxycyclohexyl)-1H-isoindole-1,3(2H)-dione

Cyclopentyl-<4-hydroxycyclohexyl>-amin

Refernces

• 1、 Tomkins, Patrick,Valgaeren, Carlot,Adriaensen, Koen,Cuypers, Thomas,Vos, Dirk E. De. "The Rhodium Catalysed Direct Conversion of Phenols to Primary Cyclohexylamines". . p. 3689 - 3693. Retrieved 2018/07/31.
• 2、 Ma, Hongxian,Cai, Jianguo. "Catalytic hydrogenation of 1,4-phenylenediamine to 1,4-cyclohexanediamine". . p. 397 - 403. Retrieved 2014/08/18.