Phenol, 4-(3-aminopropyl)-2,6-bis(1,1-dimethylethyl)-

Base Information

• Chemical Name: Phenol, 4-(3-aminopropyl)-2,6-bis(1,1-dimethylethyl)-
• CAS No.: 19510-14-6
• Molecular Formula: C17H29NO
• Molecular Weight: 263.423
• DSSTox Substance ID: DTXSID50443180
• Wikidata: Q82260891
• Mol file: 19510-14-6.mol

Synonyms:19510-14-6;Phenol, 4-(3-aminopropyl)-2,6-bis(1,1-dimethylethyl)-;4-(3-aminopropyl)-2,6-ditert-butylphenol;SCHEMBL3678356;DTXSID50443180;MFCD13192453;AKOS037644438;AS-53644;P16807;3-(3,5-di-t-butyl-4-hydroxyphenyl)propylamine;4-(3-Aminopropyl)-2,6-bis(1,1-dimethylethyl)-phenol;Phenol,4-(3-aminopropyl)-2,6-bis(1,1-dimethylethyl)-

Chemical Property of Phenol, 4-(3-aminopropyl)-2,6-bis(1,1-dimethylethyl)-

Chemical Property:

• XLogP3: 4.6
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 5
• Exact Mass: 263.224914549
• Heavy Atom Count: 19
• Complexity: 250

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)CCCN

Technology Process of Phenol, 4-(3-aminopropyl)-2,6-bis(1,1-dimethylethyl)-

There total 7 articles about Phenol, 4-(3-aminopropyl)-2,6-bis(1,1-dimethylethyl)- 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: 98.0%

3-(3,5-di-tert-butyl-4-hydroxyphenyl)-1-chloropropane (95970-32-4) → γ-(4-hydroxy-3,5-di-tert-butylphenyl)propylamine (19510-14-6)

Guidance literature:

With ammonia; at 70 ℃; for 8h;

DOI:10.1134/S1070428006100034

Reference yield: 45.0%

3-(3,5-di-tert-butyl-4-hydroxyphenyl)propanamide (34249-71-3) → γ-(4-hydroxy-3,5-di-tert-butylphenyl)propylamine (19510-14-6)

Guidance literature:

With lithium aluminium tetrahydride; In diethyl ether; for 5.5h; Heating;

DOI:10.1021/jm990945v

Reference yield:

3,5-di-tert-butyl-4-hydroxycinnamic acid (95602-92-9) → γ-(4-hydroxy-3,5-di-tert-butylphenyl)propylamine (19510-14-6)

Guidance literature:

Multi-step reaction with 4 steps

1: 98 percent / H₂ / Pd/C / ethanol / 3 h / 20 °C / 2585.81 Torr

2: thionyl chloride; DMF / toluene; CH₂Cl₂ / 2 h / 20 °C

3: 28.6 g / NH₄OH / tetrahydrofuran / 0.25 h / 0 °C

4: 45 percent / LiAlH₄ / diethyl ether / 5.5 h / Heating

With ammonium hydroxide; lithium aluminium tetrahydride; thionyl chloride; hydrogen; N,N-dimethyl-formamide; palladium on activated charcoal; In tetrahydrofuran; diethyl ether; ethanol; dichloromethane; toluene; 1: Catalytic hydrogenation / 2: Chlorination / 3: Acylation / 4: Reduction;

DOI:10.1021/jm990945v

upstream raw materials:

3-(3,5-di-tert-butyl-4-hydroxyphenyl)propanamide

3-(3,5-di-tert-butyl-4-hydroxyphenyl)-1-chloropropane

4-hydroxy-3,5-di-tert-butylphenylpropionic acid

3,5-di-tert-butyl-4-hydroxycinnamic acid

Downstream raw materials:

N,N-dimethyl-3-(3,5-di-tert-butyl-4-hydroxyphenyl)propylamine

2,6-Di-tert-butyl-4-[3-(3-phenyl-propylamino)-propyl]-phenol

C₃₅H₄₉Cl₃N₄O₂

C₅₁H₇₇N₅O₃