4-(1-Aminopropyl)phenol

Base Information

• Chemical Name: 4-(1-Aminopropyl)phenol
• CAS No.: 85068-38-8
• Molecular Formula: C9H13NO
• Molecular Weight: 151.208
• Hs Code.: 2922299090
• European Community (EC) Number: 285-300-1
• UNII: OL3S80JXJB
• DSSTox Substance ID: DTXSID301005432
• Nikkaji Number: J309.651C
• Wikidata: Q27285711
• Mol file: 85068-38-8.mol

Synonyms:4-(1-Aminopropyl)phenol;85068-38-8;EINECS 285-300-1;UNII-OL3S80JXJB;OL3S80JXJB;Phenol, 4-(1-aminopropyl)-;SCHEMBL44113;ss-(p-Oxyphenyl)-propylamine;4-(1-Aminopropyl)phenol x1hcl;1-(4-hydroxyphenyl)-propylamine;WTQZYHPAVNTISM-UHFFFAOYSA-N;DTXSID301005432;1-amino-1-(4-hydroxyphenyl)propane;BBL023689;STL068929;AKOS000131465;AKOS022060662;SB75720;4-(1-AMINOPROPYL)PHENOL, (+/-)-;Q27285711

Chemical Property of 4-(1-Aminopropyl)phenol

Chemical Property:

• Vapor Pressure: 0.00482mmHg at 25°C
• Boiling Point: 267.9°Cat760mmHg
• Flash Point: 115.8°C
• PSA: 46.25000
• Density: 1.067g/cm³
• LogP: 2.50230
• XLogP3: 1.4
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 151.099714038
• Heavy Atom Count: 11
• Complexity: 108

Purity/Quality:

98% ^*data from raw suppliers

4-(1-aminopropyl)phenol ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CCC(C1=CC=C(C=C1)O)N

Technology Process of 4-(1-Aminopropyl)phenol

There total 6 articles about 4-(1-Aminopropyl)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: 79.0%

1-(4'-hydroxy)propiophenone oxime (133595-72-9) → α-[RS]Ethyl-4-hydroxybenzylamine (85068-38-8)

Guidance literature:

With hydrogen; palladium on activated charcoal; In hydrogenchloride; ethanol; at 50 ℃; for 5h; under 22065.2 Torr;

DOI:10.1002/(SICI)1096-9063(1998110)54:3<223::AID-PS814>3.0.CO;2-R

Reference yield:

4-hydroxypropiophenone (70-70-2) → α-[RS]Ethyl-4-hydroxybenzylamine (85068-38-8)

Guidance literature:

Multi-step reaction with 2 steps

1: 44 percent / NH₂OH*HCl; potasium acetate / ethanol; H₂O / 6 h / Heating

2: 79 percent / H₂ / Pd/C / aq. HCl; ethanol / 5 h / 50 °C / 22065.2 Torr

With hydroxylamine hydrochloride; hydrogen; potassium acetate; palladium on activated charcoal; In hydrogenchloride; ethanol; water; 1: oximation / 2: Hydrogenation;

DOI:10.1002/(SICI)1096-9063(1998110)54:3<223::AID-PS814>3.0.CO;2-R

Reference yield:

1-(4-hydroxy-phenyl)-propan-1-one oxime (133595-72-9) → α-[RS]Ethyl-4-hydroxybenzylamine (85068-38-8)

Guidance literature:

With ethanol; sodium;

upstream raw materials:

1-(4-hydroxy-phenyl)-propan-1-one oxime

1-(4'-hydroxy)propiophenone oxime

4-hydroxypropiophenone

4-acetoxybenzoyl chloride

Downstream raw materials:

dl-5-chloro-6-ethyl-4-(α-ethyl-4-hydroxybenzylamino)-pyrimidine