4-Tert-butyl-2-[(cyclohexylamino)methyl]phenol

Base Information

• Chemical Name: 4-Tert-butyl-2-[(cyclohexylamino)methyl]phenol
• CAS No.: 109252-85-9
• Molecular Formula: C17H27NO
• Molecular Weight: 261.40200
• NSC Number: 48156
• DSSTox Substance ID: DTXSID80286880
• Nikkaji Number: J2.003.755E
• Wikidata: Q82022718
• ChEMBL ID: CHEMBL532079
• Mol file: 109252-85-9.mol

Synonyms:4-tert-butyl-2-[(cyclohexylamino)methyl]phenol;109252-85-9;GNF-Pf-5310;MMV665785;NSC48156;Oprea1_665360;CHEMBL532079;DTXSID80286880;NSC-48156;NSC766448;NSC-766448;AA-516/12432314

Chemical Property of 4-Tert-butyl-2-[(cyclohexylamino)methyl]phenol

Chemical Property:

• PSA: 32.26000
• LogP: 4.50290
• XLogP3: 4.4
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 4
• Exact Mass: 261.209264485
• Heavy Atom Count: 19
• Complexity: 265

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)(C)C1=CC(=C(C=C1)O)CNC2CCCCC2

Technology Process of 4-Tert-butyl-2-[(cyclohexylamino)methyl]phenol

There total 2 articles about 4-Tert-butyl-2-[(cyclohexylamino)methyl]phenol 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:

formaldehyd (50-00-0,30525-89-4,61233-19-0) + cyclohexylamine (108-91-8,157973-60-9) → 2-cyclohexylaminomethyl-4-tert-butylphenol (109252-85-9)

Guidance literature:

With 1,4-dioxane; anschliessendes Erwaermen mit 4-tert-Butyl-phenol;

DOI:10.1021/ja01170a063

Reference yield:

formaldehyd (50-00-0,30525-89-4,61233-19-0) + cyclohexylamine (108-91-8,157973-60-9) → 2-cyclohexylaminomethyl-4-tert-butylphenol (109252-85-9)

Guidance literature:

anschliessend Erwaermen mit 4-tert-Butyl-phenol;

DOI:10.1021/ja01170a063

Reference yield: 78.0%

P,P-dichlorophenylphosphine oxide (824-72-6) + 2-cyclohexylaminomethyl-4-tert-butylphenol (109252-85-9) → 2-phenyl-3-cyclohexyl-6-(1,1-dimethylethyl)-3,4-dihydro-2H-1,3,2-benzoxazaphosphorine-2-oxide (120628-11-7)

Guidance literature:

With triethylamine; In benzene; 1.) rt, 2 h, 2.) 40-60 deg C, 2.5 h;

upstream raw materials:

formaldehyd

cyclohexylamine

Downstream raw materials:

2-phenyl-3-cyclohexyl-6-(1,1-dimethylethyl)-3,4-dihydro-2H-1,3,2-benzoxazaphosphorine-2-oxide

2-(4-chlor-2-methylphenyloxy)-3-cyclohexyl-6-(1,1-dimethylethyl)-3,4-dihydro-2H-1,3,2-benzoxazaphosphorine-2-oxide

2-(4-chlor-3-methylphenyloxy)-3-cyclohexyl-6-(1,1-dimethylethyl)-3,4-dihydro-2H-1,3,2-benzoxazaphosphorine-2-oxide

2-(3,5-dimethylphenyloxy)-3-cyclohexyl-6-(1,1-dimethylethyl)-3,4-dihydro-2H-1,3,2-benzoxazaphosphorine-2-oxide

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