1-Benzylamino-3-butoxy-propan-2-ol

Base Information

• Chemical Name: 1-Benzylamino-3-butoxy-propan-2-ol
• CAS No.: 939793-22-3
• Molecular Formula: C₁₄H₂₃NO₂
• Molecular Weight: 237.342
• DSSTox Substance ID: DTXSID701261193
• Nikkaji Number: J3.097.373I
• Mol file: 939793-22-3.mol

Synonyms:939793-22-3;DTXSID701261193;1-Benzylamino-3-butoxy-propan-2-ol;1-(Benzylamino)-3-butoxy-2-propanol;1-Butoxy-3-[(phenylmethyl)amino]-2-propanol

Chemical Property of 1-Benzylamino-3-butoxy-propan-2-ol

Chemical Property:

• XLogP3: 1.8
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 9
• Exact Mass: 237.172878976
• Heavy Atom Count: 17
• Complexity: 170

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CCCCOCC(CNCC1=CC=CC=C1)O

Technology Process of 1-Benzylamino-3-butoxy-propan-2-ol

There total 1 articles about 1-Benzylamino-3-butoxy-propan-2-ol 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:

glycidyl n-butyl ether (2426-08-6) + benzylamine (100-46-9) → C14H23NO2 (939793-22-3)

Guidance literature:

In m-cresol; at 20 ℃;

DOI:10.1016/j.polymer.2012.03.061

Reference yield:

C14H23NO2 (939793-22-3) → 1-benzyl-2-(butoxymethyl)aziridine

Guidance literature:

With di-isopropyl azodicarboxylate; triphenylphosphine; In tetrahydrofuran; toluene; at 0 - 20 ℃; Inert atmosphere;

DOI:10.1021/acs.orglett.1c01821

Reference yield:

C14H23NO2 (939793-22-3) → 2-benzyl-3-(butoxymethyl)-3,4-dihydroisoquinolin-1(2H)-one + 2-benzyl-4-(butoxymethyl)-3,4-dihydroisoquinolin-1(2H)-one

Guidance literature:

Multi-step reaction with 2 steps

1: triphenylphosphine; di-isopropyl azodicarboxylate / toluene; tetrahydrofuran / 0 - 20 °C / Inert atmosphere

2: nickel(II) acetate tetrahydrate / diethylene glycol dimethyl ether / 1 h / 200 °C / Inert atmosphere; Sealed tube; Microwave irradiation

With di-isopropyl azodicarboxylate; nickel(II) acetate tetrahydrate; triphenylphosphine; In tetrahydrofuran; diethylene glycol dimethyl ether; toluene;

DOI:10.1021/acs.orglett.1c01821

upstream raw materials:

glycidyl n-butyl ether

benzylamine