ChemicalBook--->CAS DataBase List--->6443-85-2

6443-85-2

6443-85-2 Structure

6443-85-2 Structure
IdentificationMore
[Name]

3-PYRIDYLACETONITRILE
[CAS]

6443-85-2
[Synonyms]

3-(CYANOMETHYL)PYRIDINE
3-PYRIDINEACETONITRILE
3-PYRIDYLACETONITRILE
3-PYRIDYLMETHYL CYANIDE
PYRIDINE-3-ACETONITRILE
3-Pyridinylacetonitrile
Pyridine-3-acetonitrile,98%
NSC 83226
[EINECS(EC#)]

229-241-1
[Molecular Formula]

C7H6N2
[MDL Number]

MFCD00006406
[Molecular Weight]

118.14
[MOL File]

6443-85-2.mol
Chemical PropertiesBack Directory
[Melting point ]

99-100 °C
[Boiling point ]

101-109 °C/1.5 mmHg (lit.)
[density ]

1.108 g/mL at 25 °C(lit.)
[refractive index ]

n20/D 1.529(lit.)
[Fp ]

209 °F
[storage temp. ]

2-8°C
[form ]

Liquid
[pka]

4.17±0.10(Predicted)
[color ]

very deep yellow
[Water Solubility ]

Soluble in alcohol, ether, ketone. Insoluble in water.
[BRN ]

111292
[InChI]

InChI=1S/C7H6N2/c8-4-3-7-2-1-5-9-6-7/h1-2,5-6H,3H2
[InChIKey]

OIPHWUPMXHQWLR-UHFFFAOYSA-N
[SMILES]

C1=NC=CC=C1CC#N
[CAS DataBase Reference]

6443-85-2(CAS DataBase Reference)
[EPA Substance Registry System]

3-Pyridineacetonitrile (6443-85-2)
Safety DataBack Directory
[Symbol(GHS) ]

Exclamation Mark (GHS07)
GHS07
[Signal word ]

Warning
[Hazard statements ]

H315-H319
[Precautionary statements ]

P264-P280-P302+P352-P305+P351+P338-P332+P313-P337+P313
[Hazard Codes ]

Xi
[Risk Statements ]

R36/38:Irritating to eyes and skin .
R36/37/38:Irritating to eyes, respiratory system and skin .
[Safety Statements ]

S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S36:Wear suitable protective clothing .
[RIDADR ]

3276
[WGK Germany ]

3
[F ]

10
[TSCA ]

Yes
[HazardClass ]

6.1
[PackingGroup ]

III
[HS Code ]

29333990
Raw materials And Preparation ProductsBack Directory
[Raw materials]

3-(Chloromethyl)pyridine-->2-(Pyridin-3-yl)acetamide
[Preparation Products]

Xanomeline-->3-Pyridylacetic acid hydrochloride-->Risedronic acid-->3-Pyridylacetic acid-->3-Pyridineethaneamine-->3-(3-Pyridyl)coumarin-->3-Pyridineacetonitrile, α-acetyl--->3-Pyridineacetonitrile,5-hydroxy-(6CI)-->6-(4-Methoxy-phenyl)-3-pyridin-3-yl-pyrazolo[1,5-a]pyrimidine
Hazard InformationBack Directory
[Uses]

3-Pyridineacetonitrile is a reactant used in the preparation of 1,7-naphthyridine derivatives as phosphodiesterase-4 inhibitors.
[Synthesis]

2-(PYRIDIN-3-YL)ACETAMIDE

3724-16-1

3-PYRIDYLACETONITRILE

6443-85-2

The general procedure for synthesizing 3-pyridylacetonitrile from pyridine-3-acetamide is as follows: general method: after completing the preparation of the amide intermediate, the operation of Example A is carried out. Decide the state of the reaction vessel according to the relationship between the boiling point of the amide intermediate at atmospheric pressure and the reaction temperature TB: if the boiling point of the amide intermediate is equal to or lower than TB, close the reaction vessel; if higher than TB, keep the reaction vessel open. Start the stirrer, set the speed to 600 rpm, adjust the reaction temperature to TB and maintain this temperature for TD hours until the reaction is essentially complete. Subsequently, the reaction vessel was sealed and connected to a vacuum pump, the system vacuum was adjusted to 20-50 mbar (depending on the nature of the nitrile product), and the distillate was collected as the target nitrile product. The yield of the product was calculated and samples were taken for NMR and elemental analysis to characterize the structure and purity of the resulting nitrile product. The specific reaction conditions and characterization results are detailed in Tables A-7 to A-12 below. the characterization data confirmed that the resulting nitrile products were of very high purity (>99%). In this series of examples for the preparation of the nitrile product, it is recommended to add 10 g of phosphorus pentoxide as a catalyst at once at the beginning of the reaction.

[References]

[1] Patent: CN104557610, 2018, B. Location in patent: Paragraph 0153; 0154; 0155; 0158; 0159
[2] Journal of the American Chemical Society, 1950, vol. 72, p. 1988
[3] Journal of the American Chemical Society, 1951, vol. 73, p. 5752,5756
Spectrum DetailBack Directory
[Spectrum Detail]

3-PYRIDYLACETONITRILE(6443-85-2)MS
3-PYRIDYLACETONITRILE(6443-85-2)1HNMR
3-PYRIDYLACETONITRILE(6443-85-2)13CNMR
3-PYRIDYLACETONITRILE(6443-85-2)IR1
3-PYRIDYLACETONITRILE(6443-85-2)Raman
Well-known Reagent Company Product InformationBack Directory
[Alfa Aesar]

3-Pyridineacetonitrile, 98%(6443-85-2)
[Sigma Aldrich]

6443-85-2(sigmaaldrich)
[TCI AMERICA]

3-Pyridineacetonitrile,>98.0%(GC)(6443-85-2)
6443-85-2 suppliers list
Company Name: Nantong Xiaochang Pharmaceutical Trading Co., Ltd.  Gold
Telephone: 0513-82104991 15716298942
Website: www.chemicalbook.com/showsupplierproductslist1312795/0_en.htm
Company Name: Shanghai Taijilin Industrial Co., Ltd.  Gold
Telephone: 02150630626 17717886015
Website: http://www.tajilin.com/
Company Name: J & K SCIENTIFIC LTD.  
Telephone: 18210857532 18210857532
Website: https://www.jkchemical.com
Company Name: 3B Pharmachem (Wuhan) International Co.,Ltd.  
Telephone: 18930552037
Website: www.chemicalbook.com/showsupplierproductslist13285/0_en.htm
Company Name: Alfa Aesar  
Telephone: 400-6106006
Website: http://chemicals.thermofisher.cn
Company Name: TCI (Shanghai) Development Co., Ltd.  
Telephone: 021-67121386
Website: https://www.tcichemicals.com/CN/zh/
Company Name: Energy Chemical  
Telephone: 400-0056266
Website: www.energy-chemical.com
Company Name: Wuhan Chemwish Technology Co., Ltd  
Telephone: 86-027-67849912
Website: www.chemwish.com
Company Name: Tetranov Biopharm  
Telephone: 13526569071
Website: http://www.leadmedpharm.com/index.html
Company Name: Nanjing Chemlin Chemical Co., Ltd  
Telephone: 025-83697070 13770331960
Website: www.echemlin.cn
Company Name: Shanghai Hanhong Scientific Co.,Ltd.  
Telephone: 021-54306202 13764082696
Website: https://www.hanhongsci.com
Company Name: Shandong Xiya Chemical Co., Ltd  
Telephone: 13355009207 13355009207
Website: http://www.xiyashiji.com
Company Name: Sinopharm Chemical Reagent Co,Ltd.  
Telephone: 86-21-63210123
Website: www.reagent.com.cn
Company Name: Nanjing Vital Chemical Co., Ltd.  
Telephone: Please Send Email 18652950785
Website: www.chemicalbook.com/ShowSupplierProductsList15337/0_EN.htm
Company Name: Aemon Chemical  
Telephone: 0086-755-86198205
Website: www.aemonchem.com
Company Name: Thermo Fisher Scientific  
Telephone: 800-810-5118
Website: www.thermo.com.cn
Company Name: Beijing innoChem Science & Technology Co.,Ltd.  
Telephone: 400-810-7969 010-59572699
Website: www.inno-chem.com.cn
Company Name: Jiangsu Aikon Biopharmaceutical R&D co.,Ltd.  
Telephone: 025-66113011 13913916777
Website: www.aikonchem.com/
Tags:6443-85-2 Related Product Information
6443-85-2 5005-36-7 92333-25-0 2739-97-1 39891-09-3