4-(4-Aminobutyl)phenol

Base Information

• Chemical Name: 4-(4-Aminobutyl)phenol
• CAS No.: 22205-09-0
• Molecular Formula: C10H15NO
• Molecular Weight: 165.235
• Hs Code.: 2922299090
• DSSTox Substance ID: DTXSID40440986
• Nikkaji Number: J713.978K
• Wikidata: Q82257506
• Mol file: 22205-09-0.mol

Synonyms:4-(4-aminobutyl)phenol;22205-09-0;Phenol, 4-(4-aminobutyl)-;SCHEMBL940013;DTXSID40440986;MFCD00870513;AKOS006273441;AB07609;CS-0353984;FT-0706139;P16850;EN300-1842402

Chemical Property of 4-(4-Aminobutyl)phenol

Chemical Property:

• Melting Point: 106-108 °C
• Boiling Point: 315.275 °C at 760 mmHg
• PKA: 10.10±0.15(Predicted)
• Flash Point: 144.473 °C
• PSA: 46.25000
• Density: 1.05 g/cm³
• LogP: 2.37390
• XLogP3: 2
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 4
• Exact Mass: 165.115364102
• Heavy Atom Count: 12
• Complexity: 108

Purity/Quality:

99%, ^*data from raw suppliers

4-(4-AMINOBUTYL)PHENOL 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: C1=CC(=CC=C1CCCCN)O

Technology Process of 4-(4-Aminobutyl)phenol

There total 19 articles about 4-(4-Aminobutyl)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: 88.7%

4-(4-Methoxyphenyl)butylamine (72457-26-2) → 4-(p-hydroxyphenyl)butylamine (22205-09-0)

Guidance literature:

With hydrogen bromide; In water; at 90 ℃; for 3h;

Reference yield: 65.0%

2-[4-(4-methoxy-phenyl)-butyl]-isoindole-1,3-dione (211692-42-1) → 4-(p-hydroxyphenyl)butylamine (22205-09-0)

Guidance literature:

With boron tribromide; In dichloromethane; at -78 - 20 ℃;

Reference yield: 23.0%

4-(4-hydroxyphenyl)butyramide (29112-55-8) → 4-(p-hydroxyphenyl)butylamine (22205-09-0)

Guidance literature:

With dimethylsulfide borane complex; In tetrahydrofuran; for 6h; Heating;

DOI:10.1021/jm950892r

upstream raw materials:

benzoic acid-[4-(4-hydroxy-phenyl)-butylamide]

4-(4-hydroxyphenyl)butyramide

4-(4-Methoxyphenyl)butylamine

2-[4-(4-hydroxyphenyl)butyl]isoindole-1,3-dione

Downstream raw materials:

tert-butyl (4-(4-hydroxyphenyl)butyl)carbamate

N-(3-[4-(3-piperidinopropoxy)phenyl]butyl)-2-amino-5-nitropyridine

[4-(4-Benzyloxycarbonylaminobutyl)phenoxy]acetic acid ethyl ester

(4-{4-[N'-(3,5-Diamino-6-chloropyrazine-2-carbonyl)guanidino]butyl}phenoxy)acetic acid ethyl ester

Refernces

• 1、 Apelt,Grassmann,Ligneau,Pertz,Ganellin,Arrang,Schwartz,Schunack,Stark, Holger. "Search for histamine H3 receptor antagonists with combined inhibitory potency at Nτ-methyltransferase: Ether derivatives". . p. 97 - 106. Retrieved 2007/10/03.
• 2、 Yasunaga, Tomoyuki,Kimura, Takenori,Naito, Ryo,Kontani, Toru,Wanibuchi, Fumikazu,Yamashita, Hiroshi,Nomura, Tamako,Tsukamoto, Shin-Ichi,Yamaguchi, Tokio,Mase, Toshiyasu. "Synthesis and pharmacological characterization of novel 6-fluorochroman derivatives as potential 5-HT(1A) receptor antagonists". . p. 2765 - 2778. Retrieved 2007/10/03.