1-(2-Azidoethyl)-4-methoxybenzene

Base Information

• Chemical Name: 1-(2-Azidoethyl)-4-methoxybenzene
• CAS No.: 74447-44-2
• Molecular Formula: C9H11N3O
• Molecular Weight: 177.206
• ChEMBL ID: CHEMBL3236163
• DSSTox Substance ID: DTXSID50470012
• Nikkaji Number: J3.012.809E
• Wikidata: Q82297968
• Mol file: 74447-44-2.mol

Synonyms:1-(2-Azidoethyl)-4-methoxybenzene;74447-44-2;Benzene, 1-(2-azidoethyl)-4-methoxy-;CHEMBL3236163;SCHEMBL13460492;DTXSID50470012;MFCD14695152;AKOS010630887;LS-10664;EN300-1217168;F2157-0528

Chemical Property of 1-(2-Azidoethyl)-4-methoxybenzene

Chemical Property:

• PSA: 58.98000
• LogP: 2.00076
• XLogP3: 3.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 177.090211983
• Heavy Atom Count: 13
• Complexity: 181

Purity/Quality:

99% ^*data from raw suppliers

1-(2-Azidoethyl)-4-methoxybenzene ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1=CC=C(C=C1)CCN=[N+]=[N-]

Technology Process of 1-(2-Azidoethyl)-4-methoxybenzene

There total 10 articles about 1-(2-Azidoethyl)-4-methoxybenzene 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: 100.0%

4-methoxyphenethyl bromide (14425-64-0) → 1-azido-2-(4-methoxyphenyl)ethane (74447-44-2)

Guidance literature:

With sodium azide; In dimethyl sulfoxide;

DOI:10.1021/jm300837y

Reference yield: 95.0%

1-(2-Chloroethyl)-4-methoxybenzene (18217-00-0) → 1-azido-2-(4-methoxyphenyl)ethane (74447-44-2)

Guidance literature:

With sodium azide; In N,N-dimethyl-formamide; at 90 ℃; for 5h;

DOI:10.1039/c5ra27578d

Reference yield: 72.0%

2-(4-Methoxyphenyl)ethanol (702-23-8) → 1-azido-2-(4-methoxyphenyl)ethane (74447-44-2)

Guidance literature:

2-(4-Methoxyphenyl)ethanol; With di-isopropyl azodicarboxylate; triphenylphosphine; In tetrahydrofuran; for 0.0833333h;

With diphenylphosphoranyl azide; In tetrahydrofuran; at 100 ℃; for 24h;

DOI:10.1016/j.bmcl.2006.06.001

upstream raw materials:

2-(4-Methoxyphenyl)ethanol

methanesulfonic acid-2-(4-methoxyphenyl)ethyl ester

4-Methoxyphenylacetaldehyde

2-(4-methoxyphenyl)acetaldehyde dimethyl acetal

Downstream raw materials:

4-Methoxyphenethylamine

1-[2-(4-methoxyphenyl)ethyl]-4-phenyl-1H-1,2,3-triazole

C₁₈H₁₈N₄O₃

(+/-)-trans-3-Hydroxy-4-(1-(4-methoxy-phenethyl)-1H-1,2,3-triazol-4-yl)piperidine