ChemicalBook--->CAS DataBase List--->40851-95-4

40851-95-4

40851-95-4 Structure

40851-95-4 Structure
IdentificationBack Directory
[Name]

6-Chloro-2,3-diaminopyridine
[CAS]

40851-95-4
[Synonyms]

6-Chloropyridine-2,3-diamin
6-Chloro-2,3-diaminopyridine
6-chloro-2,3-PyridinediaMine
2,3-PyridinediaMine, 6-chloro-
6-chloro-pyridine-2,3-diyldiamine
2,3-Diamino-6-chloropyridine ,97%
6-Chloro-2,3-diaminopyridine ISO 9001:2015 REACH
2,3-Diamino-6-chloropyridineNew
[EINECS(EC#)]

214-589-6
[Molecular Formula]

C5H6ClN3
[MDL Number]

MFCD00209966
[MOL File]

40851-95-4.mol
[Molecular Weight]

143.57
Chemical PropertiesBack Directory
[Melting point ]

132.0 to 136.0 °C
[Boiling point ]

360.2±37.0 °C(Predicted)
[density ]

1.447±0.06 g/cm3(Predicted)
[storage temp. ]

2-8°C
[form ]

powder to crystal
[pka]

2.69±0.50(Predicted)
[color ]

White to Brown to Dark purple
[InChI]

1S/C5H6ClN3/c6-4-2-1-3(7)5(8)9-4/h1-2H,7H2,(H2,8,9)
[InChIKey]

QEIRYIILFUVXAM-UHFFFAOYSA-N
[SMILES]

ClC1=NC(N)=C(N)C=C1
Safety DataBack Directory
[Hazard Codes ]

Xn
[Risk Statements ]

22-36/37/38-42/43-33-23/24/25
[Safety Statements ]

22-36/37-45-37-28
[RIDADR ]

2811
[WGK Germany ]

3
[HazardClass ]

6.1
[HS Code ]

29333990
[Storage Class]

11 - Combustible Solids
[Hazard Classifications]

Acute Tox. 4 Oral
Eye Irrit. 2
Resp. Sens. 1
Skin Irrit. 2
Skin Sens. 1
STOT SE 3
Raw materials And Preparation ProductsBack Directory
[Raw materials]

Ethyl acetate-->Petroleum ether-->Acetic anhydride-->Sodium borohydride-->tert-Butanol-->Stannous chloride dihydrate-->2-Amino-6-chloro-3-nitropyridine-->6-Chloro-2-nitropyridin-3-amine-->Hydrogen-->Methanol
[Preparation Products]

(5-Chloro-1H-imidazo[4,5-b]pyridin-2-yl)methanol-->5-chloro-3H-imidazo[4,5-b]pyridine-2-thiol-->6-chloro-3-(1-methyl-1H-pyrazol-4-yl)pyrido[2,3-b]pyrazine
Hazard InformationBack Directory
[Chemical Properties]

Dark green solid
[Synthesis]

6-Chloro-2-nitropyridin-3-amine

146015-42-1

6-Chloro-2,3-diaminopyridine

40851-95-4

6-Chloro-2-nitropyridin-3-amine (E-23) (8.8 g, 51 mmol, 1.0 eq.) was used as a raw material and mixed with Ruanne nickel (0.88 g) in methanol (100 mL). The reaction mixture was stirred at room temperature for 24 hours under hydrogen atmosphere. Upon completion of the reaction, the catalyst was removed by filtration and the filtrate was concentrated under vacuum to afford the target product 6-chloropyridine-2,3-diamine (E-24) (7 g, 95.6% yield) as a pale white solid. The product was detected by ESI-MS, m/z: 144.05 [M + H]+.

[References]

[1] Patent: WO2011/149937, 2011, A1. Location in patent: Page/Page column 40; 41; 84
[2] Patent: WO2013/78441, 2013, A1. Location in patent: Paragraph 00143; 00326
[3] Patent: WO2014/151147, 2014, A1. Location in patent: Paragraph 00641
[4] Patent: US2015/30588, 2015, A1. Location in patent: Page/Page column 66
[5] Patent: US9295673, 2016, B2. Location in patent: Page/Page column 341; 342
Questions And AnswerBack Directory
[Application]

6-Chloro-2,3-diaminopyridine is an organic synthesis intermediate and a pharmaceutical intermediate that can be used in laboratory research and development processes as well as in chemical and pharmaceutical synthesis.
Spectrum DetailBack Directory
[Spectrum Detail]

6-Chloro-2,3-diaminopyridine(40851-95-4)1HNMR
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