Benzene, (azidomethoxymethyl)-

Base Information

• Chemical Name: Benzene, (azidomethoxymethyl)-
• CAS No.: 127700-29-2
• Molecular Formula: C8H9N3O
• Molecular Weight: 163.179
• DSSTox Substance ID: DTXSID50457525
• Wikidata: Q82280393
• Mol file: 127700-29-2.mol

Synonyms:Benzene, (azidomethoxymethyl)-;azidomethoxymethylbenzene;127700-29-2;[(azidomethoxy)methyl]benzene;52827-28-8;SCHEMBL18327717;DTXSID50457525;EN300-7890692

Chemical Property of Benzene, (azidomethoxymethyl)-

Chemical Property:

• XLogP3: 2.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 163.074561919
• Heavy Atom Count: 12
• Complexity: 160

Purity/Quality:

85.0-99.8% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of Benzene, (azidomethoxymethyl)-

There total 2 articles about Benzene, (azidomethoxymethyl)- 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: 89.0%

benzaldehyde dimethyl acetal (1125-88-8) → α-azidobenzyl methyl ether (127700-29-2)

Guidance literature:

With tris-(2-chloro-ethyl)-amine; magnesium bromide; In diethyl ether; for 0.166667h; Ambient temperature;

DOI:10.1016/S0040-4039(00)70654-X

Reference yield:

benzaldehyde dimethyl acetal (1125-88-8) → (diazidomethyl)benzene (17122-97-3) + α-azidobenzyl methyl ether (127700-29-2)

Guidance literature:

With trimethylsilylazide; indium(III) triflate; In dichloromethane; at 0 ℃; for 2h;

DOI:10.1016/j.tetlet.2005.10.053

Reference yield: 90.0%

methylmagnesium bromide (75-16-1) + α-azidobenzyl methyl ether (127700-29-2) → 3-phenyl-2-oxabutane (4013-34-7,111767-38-5)

Guidance literature:

In diethyl ether; toluene; at 25 ℃; for 0.333333h;

DOI:10.1039/b110428b

upstream raw materials:

benzaldehyde dimethyl acetal

Downstream raw materials:

benzaldehyde

3-phenyl-2-oxabutane

methyl 1-phenylbutyl ether

benzhydryl methyl ether