Benzoic acid, 4-(4-azidobutyl)-, methyl ester

Base Information

Chemical Name:Benzoic acid, 4-(4-azidobutyl)-, methyl ester
CAS No.:141019-01-4
Molecular Formula:C12H15N3O2
Molecular Weight:233.27
Hs Code.:
DSSTox Substance ID:DTXSID30469500
Wikidata:Q82297257
Mol file:141019-01-4.mol

Synonyms:Benzoic acid, 4-(4-azidobutyl)-, methyl ester;141019-01-4;Methyl 4-(4-azidobutyl)benzoate;DTXSID30469500

Suppliers and Price of Benzoic acid, 4-(4-azidobutyl)-, methyl ester

Supply Marketing:

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

Manufacturers and distributors:

Manufacture/Brand
Chemicals and raw materials
Packaging
price

Total 2 raw suppliers

Chemical Property of Benzoic acid, 4-(4-azidobutyl)-, methyl ester

Chemical Property:

PSA：76.05000
LogP:2.55896
XLogP3:3.7
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:7
Exact Mass:233.116426730
Heavy Atom Count:17
Complexity:280

Purity/Quality:: 99% ^*data from raw suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:COC(=O)C1=CC=C(C=C1)CCCCN=[N+]=[N-]

Technology Process of Benzoic acid, 4-(4-azidobutyl)-, methyl ester

There total 2 articles about Benzoic acid, 4-(4-azidobutyl)-, methyl ester 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: 85.0%

: 124656-56-0
methyl 4-<(4-methylsulfonyloxy)butyl>benzoate

: 141019-01-4
methyl 4-(4-azidobutyl)benzoate

Guidance literature:: With sodium azide; In N,N-dimethyl-formamide; at 25 ℃; for 18h;
DOI:10.1021/jo00037a047

Reference yield:

: 123910-88-3
methyl 4-(4-hydroxybut-1-yl)benzoate

: 141019-01-4
methyl 4-(4-azidobutyl)benzoate

Guidance literature:: Multi-step reaction with 2 steps

1: pyridine / tetrahydrofuran / 20 °C

2: sodium azide / dimethylformamide / 20 °C

With pyridine; sodium azide; In tetrahydrofuran; N,N-dimethyl-formamide;
DOI:10.1021/jm051134w