6-(cyanomethyl)pyridine-2-carboxylic Acid

Base Information

Chemical Name:6-(cyanomethyl)pyridine-2-carboxylic Acid
CAS No.:312325-75-0
Molecular Formula:C₈H₆N₂O₂
Molecular Weight:162.148
Hs Code.:
DSSTox Substance ID:DTXSID00467179
Nikkaji Number:J1.380.457E
Wikidata:Q82293990
Mol file:312325-75-0.mol

Synonyms:6-(cyanomethyl)pyridine-2-carboxylic Acid;312325-75-0;6-(CYANOMETHYL)PICOLINIC ACID;2-Pyridinecarboxylicacid, 6-(cyanomethyl)-;starbld0017908;SCHEMBL2638120;DTXSID00467179;MFCD10697550;AKOS006230329;AB59891;6-(CYANOMETHYL)-2-PYRIDINECARBOXYLIC ACID

Suppliers and Price of 6-(cyanomethyl)pyridine-2-carboxylic Acid

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

AccelPharmtech
6-(cyanomethyl)-2-Pyridinecarboxylicacid 97.00%
5G
$ 1700.00

AccelPharmtech
6-(cyanomethyl)-2-Pyridinecarboxylicacid 97.00%
1G
$ 1530.00

Total 3 raw suppliers

Chemical Property of 6-(cyanomethyl)pyridine-2-carboxylic Acid

Chemical Property:

PSA：73.98000
LogP:0.84588
XLogP3:0.4
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:2
Exact Mass:162.042927438
Heavy Atom Count:12
Complexity:218

Purity/Quality:

97% ^*data from raw suppliers

6-(cyanomethyl)-2-Pyridinecarboxylicacid 97.00% ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:C1=CC(=NC(=C1)C(=O)O)CC#N

Technology Process of 6-(cyanomethyl)pyridine-2-carboxylic Acid

There total 1 articles about 6-(cyanomethyl)pyridine-2-carboxylic Acid 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: 90.0%

: 21190-87-4
6-bromo-pyridine-2-carboxylic acid

: 75-05-8,26809-02-9
acetonitrile

: 312325-75-0
6-(cyanomethyl)pyridine-2-carboxylic acid

Guidance literature:: acetonitrile; With n-butyllithium; In tetrahydrofuran; hexane; at -78 ℃; for 0.5h;

6-bromo-pyridine-2-carboxylic acid; In tetrahydrofuran; hexane; at -78 - 0 ℃; for 2h;

Reference yield:

: 312325-75-0
6-(cyanomethyl)pyridine-2-carboxylic acid

: 1433826-03-9
1-benzyl 2-methyl 6-(2-(tert-butoxycarbonylamino)ethyl)piperidine-1,2-dicarboxylate

Guidance literature:: Multi-step reaction with 4 steps

1: diethyl ether; methanol / 5 h / 0 - 20 °C / Inert atmosphere

2: hydrogen / methanol / 24 h / 20 °C

3: hydrogen; platinum(IV) oxide; acetic acid / 48 h / 20 °C / 37503.8 Torr

4: N-ethyl-N,N-diisopropylamine / dichloromethane / 6 h / 0 - 20 °C / Inert atmosphere

With platinum(IV) oxide; hydrogen; acetic acid; N-ethyl-N,N-diisopropylamine; In methanol; diethyl ether; dichloromethane;
DOI:10.1021/jm400087k

Reference yield:

: 312325-75-0
6-(cyanomethyl)pyridine-2-carboxylic acid

: C₁₇H₂₄N₂O₄

Guidance literature:: Multi-step reaction with 5 steps

1: diethyl ether; methanol / 5 h / 0 - 20 °C / Inert atmosphere

2: hydrogen / methanol / 24 h / 20 °C

3: hydrogen; platinum(IV) oxide; acetic acid / 48 h / 20 °C / 37503.8 Torr

4: N-ethyl-N,N-diisopropylamine / dichloromethane / 6 h / 0 - 20 °C / Inert atmosphere

5: trifluoroacetic acid / dichloromethane / 1 h / 20 °C / Inert atmosphere

With platinum(IV) oxide; hydrogen; acetic acid; N-ethyl-N,N-diisopropylamine; trifluoroacetic acid; In methanol; diethyl ether; dichloromethane;
DOI:10.1021/jm400087k