2-(3-(Benzyloxy)-4-methoxyphenyl)ethanamine

Base Information

• Chemical Name: 2-(3-(Benzyloxy)-4-methoxyphenyl)ethanamine
• CAS No.: 36455-21-7
• Molecular Formula: C16H19NO2
• Molecular Weight: 257.332
• Hs Code.: 2922299090
• DSSTox Substance ID: DTXSID00383183
• Nikkaji Number: J1.182.633D
• Wikidata: Q82174824
• Mol file: 36455-21-7.mol

Synonyms:36455-21-7;2-(3-(Benzyloxy)-4-methoxyphenyl)ethanamine;Benzeneethanamine, 4-methoxy-3-(phenylmethoxy)-;2-(4-methoxy-3-phenylmethoxyphenyl)ethanamine;SCHEMBL2742565;DTXSID00383183;HGPYIHOTQGSJAJ-UHFFFAOYSA-N;3-benzyloxy-4-methoxyphenethylamine;3-benzyloxy-4-methoxy-phenethylamine;MFCD02728599;3-(Benzyloxy)-4-methoxyphenethylamine;AKOS000277431;3-(Benzyloxy)-4-methoxybenzeneethanamine;SY302255;2-(3-(Benzyloxy)-4-methoxyphenyl)ethamine;2-(3-benzyloxy-4-methoxy-phenyl)ethanamine;beta-(3-benzyloxy-4-methoxyphenyl)ethylamine;E83138;A898293

Chemical Property of 2-(3-(Benzyloxy)-4-methoxyphenyl)ethanamine

Chemical Property:

• Vapor Pressure: 1.88E-06mmHg at 25°C
• Boiling Point: 395.1oC at 760 mmHg
• Flash Point: 212.5oC
• PSA: 44.48000
• Density: 1.096g/cm3
• LogP: 3.47570
• Solubility.: Chloroform, DCM. Ethyl Acetate
• XLogP3: 2.4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 6
• Exact Mass: 257.141578849
• Heavy Atom Count: 19
• Complexity: 241

Purity/Quality:

97% ^*data from raw suppliers

3-Benzyloxy-4-methoxyphenylethylamine ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1=C(C=C(C=C1)CCN)OCC2=CC=CC=C2
• Uses: 3-Benzyloxy-4-methoxyphenylethylamine is an intermediate in the synthesis of Reticuline (R188505), a tetrahydrobenzylisoquinoline alkaloid found in opium.

Technology Process of 2-(3-(Benzyloxy)-4-methoxyphenyl)ethanamine

There total 17 articles about 2-(3-(Benzyloxy)-4-methoxyphenyl)ethanamine 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: 93.0%

(E)-2-(benzyloxy)-1-methoxy-4-(2-nitrovinyl)benzene (63909-29-5) → 3-benzyloxy-4-methoxyphenylethylamine (36455-21-7)

Guidance literature:

With lithium aluminium tetrahydride; In tetrahydrofuran; at 20 ℃; for 24h;

DOI:10.1021/jo061810h

Reference yield: 92.0%

3-benzyloxy-4-methoxy-β-nitrostyrene (63909-29-5,55507-05-6) → 3-benzyloxy-4-methoxyphenylethylamine (36455-21-7)

Guidance literature:

With lithium aluminium tetrahydride; In tetrahydrofuran; for 17h; Inert atmosphere; Reflux;

DOI:10.1002/chem.201201895

Reference yield: 88.0%

2-(3'-benzyloxy-4'-methoxyphenyl)-1-nitroethane (63909-28-4) → 3-benzyloxy-4-methoxyphenylethylamine (36455-21-7)

Guidance literature:

With nickel; hydrazine hydrate; In methanol; water; at 0 - 40 ℃; for 1h;

DOI:10.1002/cmdc.201300261

upstream raw materials:

3-benzyloxy-4-methoxy-β-nitrostyrene

(E)-2-(benzyloxy)-1-methoxy-4-(2-nitrovinyl)benzene

ethanol

acetic acid

Downstream raw materials:

N-{2-[3-(benzyloxy)-4-methoxyphenyl]ethyl}acetamide

6-(Benzyloxy)-7-methoxy-1,2,3,4-tetrahydroisoquinoline

N-<2-(3-benzyloxy-4-methoxyphenyl)-ethyl>-(2-hydroxymethyl)phenylacetamide

N-<2-(3-Benzyloxy-4-methoxyphenyl)-ethyl>-(3,4-dimethoxy-2-hydroxymethyl)-phenylacetamide