4-(2,4-Di-tert-pentylphenoxy)butan-1-amine

Base Information

• Chemical Name: 4-(2,4-Di-tert-pentylphenoxy)butan-1-amine
• CAS No.: 51959-14-9
• Molecular Formula: C20H35NO
• Molecular Weight: 305.504
• Hs Code.: 2922299090
• European Community (EC) Number: 257-550-1
• DSSTox Substance ID: DTXSID6068692
• Nikkaji Number: J141.493C
• Wikidata: Q72469965
• ChEMBL ID: CHEMBL81157
• Mol file: 51959-14-9.mol

Synonyms:51959-14-9;4-(2,4-Di-tert-pentylphenoxy)butan-1-amine;4-(2,4-di-tert-amylphenoxy)-butylamine;4-(2,4-Di-t-pentylphenoxy)butylamine;4-[2,4-bis(2-methylbutan-2-yl)phenoxy]butan-1-amine;EINECS 257-550-1;1-Butanamine, 4-[2,4-bis(1,1-dimethylpropyl)phenoxy]-;4-(2,4-Di-tert-pentylphenoxy)butylamine;4-(2,4-Bis(1,1-dimethylpropyl)phenoxy)-1-butanamine;1-Butanamine, 4-(2,4-bis(1,1-dimethylpropyl)phenoxy)-;CHEMBL81157;SCHEMBL1638711;DTXSID6068692;2,4-Di-tert-amylphenoxybutylamine;BCA95914;STR02486;AKOS015888806;SB82821;4-(2,4-di-tert-amylphenoxy)butylamine;LS-45556;4-(2,4-ditert-pentylphenoxy)-1-butanamine;FT-0616501;A828861

Chemical Property of 4-(2,4-Di-tert-pentylphenoxy)butan-1-amine

Chemical Property:

• Vapor Pressure: 1.22E-06mmHg at 25°C
• Refractive Index: 1.49
• Boiling Point: 401 °C at 760 mmHg
• PKA: 10.26±0.10(Predicted)
• Flash Point: 171.7 °C
• PSA: 35.25000
• Density: 0.917 g/cm³
• LogP: 5.87980
• Storage Temp.: 2-8°C
• XLogP3: 6.1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 9
• Exact Mass: 305.271864740
• Heavy Atom Count: 22
• Complexity: 311

Purity/Quality:

98%Min ^*data from raw suppliers

4-(2,4-Di-tert-pentylphenoxy)butan-1-amine 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CCC(C)(C)C1=CC(=C(C=C1)OCCCCN)C(C)(C)CC

Technology Process of 4-(2,4-Di-tert-pentylphenoxy)butan-1-amine

There total 5 articles about 4-(2,4-Di-tert-pentylphenoxy)butan-1-amine 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: 85.0%

N-{δ-[2,4-di(tert-amyl)phenoxy]butyl}phthalimide (313984-55-3) → δ-[2,4-di(tert-amyl)phenoxy]butylamine (51959-14-9)

Guidance literature:

With hydrazine hydrate; In isopropyl alcohol; for 2h; Heating;

Reference yield: 80.0%

N-{δ-[2,4-di(tert-amyl)phenoxy]butyl}phthalimide (313984-55-3) → 2,4-di-tert-amylphenol (120-95-6) + δ-[2,4-di(tert-amyl)phenoxy]butylamine (51959-14-9)

Guidance literature:

With hydrazine hydrate; In isopropyl alcohol; at 70 ℃; for 0.166667h;

Reference yield:

δ-(2,4-di-tert-amylphenoxy)butyl bromide (95559-82-3) → δ-[2,4-di(tert-amyl)phenoxy]butylamine (51959-14-9)

Guidance literature:

Multi-step reaction with 2 steps

1: 92 percent / dimethylformamide / 8 h / 160 - 170 °C

2: 85 percent / N₂H₄*H₂O / propan-2-ol / 2 h / Heating

With hydrazine hydrate; In N,N-dimethyl-formamide; isopropyl alcohol;

upstream raw materials:

N-{δ-[2,4-di(tert-amyl)phenoxy]butyl}phthalimide

δ-(2,4-di-tert-amylphenoxy)butyl bromide

2,4-di-tert-amylphenol

δ-(2,4-di-tert-amylphenoxy)butyl chloride

Downstream raw materials:

N-<4-<2,4-(1,1-dimethylethyl)phenoxy>butyl>-1-hydroxynaphthalene-2-carboxamide