2-[(Propylamino)methyl]phenol

Base Information

• Chemical Name: 2-[(Propylamino)methyl]phenol
• CAS No.: 84672-90-2
• Molecular Formula: C10H15NO
• Molecular Weight: 165.235
• Hs Code.: 2922290090
• European Community (EC) Number: 964-196-8
• DSSTox Substance ID: DTXSID00514571
• Nikkaji Number: J1.482.452I
• Wikidata: Q82374966
• Mol file: 84672-90-2.mol

Synonyms:2-[(propylamino)methyl]phenol;84672-90-2;2-(Propylaminomethyl)phenol;2-((propylamino)methyl)phenol;Phenol, 2-[(propylamino)methyl]-;SCHEMBL1238295;DTXSID00514571;NUHMTAQXBQRVOI-UHFFFAOYSA-N;MFCD09951050;AKOS000196606;SB76625;EN300-62849;Z316257178

Chemical Property of 2-[(Propylamino)methyl]phenol

Chemical Property:

• PSA: 32.26000
• LogP: 2.28270
• XLogP3: 1.9
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 4
• Exact Mass: 165.115364102
• Heavy Atom Count: 12
• Complexity: 116

Purity/Quality:

99% ^*data from raw suppliers

2-[(propylamino)methyl]phenol ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CCCNCC1=CC=CC=C1O

Technology Process of 2-[(Propylamino)methyl]phenol

There total 12 articles about 2-[(Propylamino)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: 95.0%

C18H27BNO(1-)*H(1+) → N-propyl-N-o-hydroxybenzylamine (84672-90-2)

Guidance literature:

With hydrogenchloride; at 20 ℃;

DOI:10.1021/ol048554k

Reference yield: 65.0%

propylamine (107-10-8,42939-71-9) + o-dimethylaminomethylphenol methylammonium iodide (26753-12-8) → N-propyl-N-o-hydroxybenzylamine (84672-90-2)

Guidance literature:

With sodium hydroxide; at 80 ℃; for 1h; pH=12;

DOI:10.1021/jo0006627

Reference yield: 55.0%

propylamine (107-10-8,42939-71-9) + salicylaldehyde (90-02-8) → N-propyl-N-o-hydroxybenzylamine (84672-90-2)

Guidance literature:

propylamine; salicylaldehyde; In methanol; at 0 - 20 ℃; for 3.5h;

With sodium tetrahydroborate; In methanol; at 0 - 20 ℃;

upstream raw materials:

N-n-propylsalicylideneamine

propylamine

salicylaldehyde

o-dimethylaminomethylphenol methylammonium iodide

Downstream raw materials:

tert-butyl 2-hydroxybenzyl(propyl)carbamate

2-((propylamino)methyl)phenol hydrochloride

C₂₁H₂₂N₂OS

2-[(isopropyloxy)methyl]phenol