4-Oxo-4-(pyridin-3-yl)butanal

Base Information

Chemical Name:4-Oxo-4-(pyridin-3-yl)butanal
CAS No.:76014-80-7
Molecular Formula:C9H9 N O2
Molecular Weight:163.176
Hs Code.:2933399090
UNII:82739XE26C
DSSTox Substance ID:DTXSID80226923
Nikkaji Number:J391.263I
Wikidata:Q27135486
Metabolomics Workbench ID:64829
Mol file:76014-80-7.mol

Synonyms:4-oxo-4-(3-pyridinebutanal);4-oxo-4-(3-pyridyl)butanal;gamma-oxo-3-pyridinebutanal

Suppliers and Price of 4-Oxo-4-(pyridin-3-yl)butanal

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

TRC
4-Oxo-4-(3-pyridyl)butanal
2.5mg
$ 175.00

Medical Isotopes, Inc.
4-Oxo-4-(3-pyridyl)-butanal
25 mg
$ 1800.00

American Custom Chemicals Corporation
4-OXO-4-(3-PYRIDYL)BUTANAL 95.00%
5MG
$ 503.23

AccelPharmtech
g-oxo-3-Pyridinebutanal 97.00%
25G
$ 4010.00

AccelPharmtech
g-oxo-3-Pyridinebutanal 97.00%
5G
$ 2180.00

AccelPharmtech
g-oxo-3-Pyridinebutanal 97.00%
1G
$ 1940.00

Total 4 raw suppliers

Chemical Property of 4-Oxo-4-(pyridin-3-yl)butanal

Chemical Property:

Vapor Pressure:0.000198mmHg at 25°C
Refractive Index:1.5460 (estimate)
Boiling Point:327.8°C at 760 mmHg
Flash Point:156.4°C
PSA：47.03000
Density:1.129g/cm³
LogP:1.24340
Storage Temp.:-20°C Freezer
XLogP3:-0.2
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:4
Exact Mass:163.063328530
Heavy Atom Count:12
Complexity:168

Purity/Quality:

99% ^*data from raw suppliers

4-Oxo-4-(3-pyridyl)butanal ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:C1=CC(=CN=C1)C(=O)CCC=O
Uses A metabolite of the tobacco-specific nitrosamine, NNK (Cat. #M32575). 4-oxo-4-(3-pyridinebutanal) is unstable and cannot be stored for more than six months. A metabolite of the tobacco-specific nitrosamine, NNK (Cat. #M32575). 4-oxo-4-(3-pyridinebutanal) is unstable and cannot be stored for more than six months.

Technology Process of 4-Oxo-4-(pyridin-3-yl)butanal

There total 8 articles about 4-Oxo-4-(pyridin-3-yl)butanal 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: 95.0%

: 109065-57-8
3-(1,3-dioxolan-2-yl)-1-(pyridin-3-yl)propan-1-one

: 76014-80-7
4-Oxo-1-(3-pyridyl)-1-butanone

Guidance literature:: With oxalic acid; at 90 ℃; for 2h;
DOI:10.1021/jo00391a066

Reference yield: 82.0%

: 59578-62-0
4-(3-pyridyl)-4-oxobutanol

: 76014-80-7
4-Oxo-1-(3-pyridyl)-1-butanone

Guidance literature:: With oxalyl dichloride; triethylamine; In dimethyl sulfoxide;
DOI:10.1016/S0040-4039(99)01606-8

Reference yield: 81.0%

: 421557-52-0
3-(4,4-dimethoxy-1-oxobutyl)pyridine

: 76014-80-7
4-Oxo-1-(3-pyridyl)-1-butanone

Guidance literature:: 3-(4,4-dimethoxy-1-oxobutyl)pyridine; With Amberlyst 15; water; In acetone; at 20 ℃; for 4h;

With triethylamine; In dichloromethane; at 20 ℃; for 2h;
DOI:10.1039/b109482n