N-(2-Methoxybenzyl)-2-propanamine

Base Information

• Chemical Name: N-(2-Methoxybenzyl)-2-propanamine
• CAS No.: 756474-36-9
• Molecular Formula: C₁₁H₁₇NO
• Molecular Weight: 179.262
• Hs Code.: 2922299090
• DSSTox Substance ID: DTXSID40466464
• Nikkaji Number: J3.215.295C
• Wikidata: Q82293032
• Mol file: 756474-36-9.mol

Synonyms:756474-36-9;N-(2-METHOXYBENZYL)PROPAN-2-AMINE;N-(2-METHOXYBENZYL)-2-PROPANAMINE;N-[(2-methoxyphenyl)methyl]propan-2-amine;N-(2-Methoxyphenylmethyl)isopropylamine;[(2-methoxyphenyl)methyl](propan-2-yl)amine;CHEMBRDG-BB 4022334;SCHEMBL9965797;DTXSID40466464;MFCD08691655;AKOS000229743;CS-0125020;EN300-32414;C78446

Chemical Property of N-(2-Methoxybenzyl)-2-propanamine

Chemical Property:

• Vapor Pressure: 0.032mmHg at 25°C
• Boiling Point: 243.28oC at 760 mmHg
• Flash Point: 99.152oC
• PSA: 21.26000
• Density: 0.951g/cm3
• LogP: 2.58410
• Storage Temp.: Keep in dark place,Sealed in dry,Room Temperature
• XLogP3: 2.2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 4
• Exact Mass: 179.131014166
• Heavy Atom Count: 13
• Complexity: 136

Purity/Quality:

97% ^*data from raw suppliers

N-(2-Methoxyphenylmethyl)isopropylamine 97% ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)NCC1=CC=CC=C1OC

Technology Process of N-(2-Methoxybenzyl)-2-propanamine

There total 6 articles about N-(2-Methoxybenzyl)-2-propanamine 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: 99.0%

N-(2-methoxybenzylidene)isopropylamine (13033-50-6) → N-(2-methoxybenzyl)-iso-propylamine (756474-36-9)

Guidance literature:

With sodium tetrahydroborate; In ethanol; at 20 ℃; for 2h; Inert atmosphere;

DOI:10.1002/anie.201606354

Reference yield: 93.0%

2-methoxy-benzonitrile (6609-56-9) + isopropyl alcohol (67-63-0,8013-70-5) → N-(2-methoxybenzyl)-iso-propylamine (756474-36-9)

Guidance literature:

With tris(triphenylphosphine)ruthenium(II) chloride; sodium hydroxide; at 120 ℃; for 6h; Inert atmosphere;

DOI:10.1002/ejoc.201300151

Reference yield: 76.0%

(1,1-dimethyl-2-nitro-butyl)-(2-methoxy-benzyl)-amine (837387-87-8) → N-(2-methoxybenzyl)-iso-propylamine (756474-36-9)

Guidance literature:

With samarium; 1,2-Diiodoethane; In tetrahydrofuran; methanol; at 20 ℃; for 16h;

DOI:10.1021/jo048304h

upstream raw materials:

(1,1-dimethyl-2-nitro-butyl)-(2-methoxy-benzyl)-amine

2-methoxybenzylamine

isopropylidene-(2-methoxy-benzyl)-amine

2-methoxy-benzonitrile