ChemicalBook > CAS DataBase List > 3-AMINO-ISONICOTINIC ACID METHYL ESTER

3-AMINO-ISONICOTINIC ACID METHYL ESTER

Product Name
3-AMINO-ISONICOTINIC ACID METHYL ESTER
CAS No.
55279-30-6
Chemical Name
3-AMINO-ISONICOTINIC ACID METHYL ESTER
Synonyms
Tpc-py003;AKOS 93360;METHYL 3-AMINOISONICOTINATE;Methyl 3-Aminoisonicotina...;Methyl3-Aminoisonicotinate>METHYL 3-AMINOPYRIDINE-4-CARBOXYLATE;3-Amino-Isonitinic Acid Methyl Ester;3-AMINO-ISONICOTINIC ACID METHYL ESTER;3-Amino-iosnicotinic acid methyl ester;Methyl3-aminopyridine-4-carboxylate,97%
CBNumber
CB2406062
Molecular Formula
C7H8N2O2
Formula Weight
152.15
MOL File
55279-30-6.mol
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3-AMINO-ISONICOTINIC ACID METHYL ESTER Property

Melting point:
84-86
Boiling point:
292.5±20.0 °C(Predicted)
Density 
1.238±0.06 g/cm3(Predicted)
storage temp. 
Keep in dark place,Sealed in dry,Room Temperature
form 
powder to crystal
pka
4.05±0.18(Predicted)
color 
White to Yellow to Green
InChI
InChI=1S/C7H8N2O2/c1-11-7(10)5-2-3-9-4-6(5)8/h2-4H,8H2,1H3
InChIKey
XLQIGLBALJNHKR-UHFFFAOYSA-N
SMILES
C1=NC=CC(C(OC)=O)=C1N
CAS DataBase Reference
55279-30-6(CAS DataBase Reference)
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Safety

Hazard Codes 
Xi,Xn
Risk Statements 
22-36/38
Safety Statements 
24/25
Hazard Note 
Irritant
HS Code 
29333990
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Hazard and Precautionary Statements (GHS)

Symbol(GHS)
Signal word
Warning
Hazard statements

H315Causes skin irritation

H319Causes serious eye irritation

H335May cause respiratory irritation

Precautionary statements

P261Avoid breathing dust/fume/gas/mist/vapours/spray.

P304+P340IF INHALED: Remove victim to fresh air and Keep at rest in a position comfortable for breathing.

P305+P351+P338IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing.

P405Store locked up.

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N-Bromosuccinimide Price

Sigma-Aldrich
Product number
ANV00027
Product name
Methyl 3-aminopyridine-4-carboxylate
Purity
Aldrich<SUP>CPR</SUP>
Packaging
1 g
Price
$185
Updated
2025/07/31
TCI Chemical
Product number
M2653
Product name
Methyl 3-Aminoisonicotinate
Purity
>98.0%(GC)
Packaging
1g
Price
$78
Updated
2025/07/31
TRC
Product number
A604785
Product name
3-AminoisonicotinicAcidMethylEster
Packaging
1g
Price
$85
Updated
2021/12/16
Matrix Scientific
Product number
045885
Product name
Methyl 3-aminoisonicotinate
Purity
95+%
Packaging
1g
Price
$14
Updated
2021/12/16
Apolloscientific
Product number
OR14139
Product name
Methyl 3-Aminoisonicotinate
Packaging
5g
Price
$41
Updated
2021/12/16
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3-AMINO-ISONICOTINIC ACID METHYL ESTER Chemical Properties,Usage,Production

Chemical Properties

Yellow powder

Uses

3-Aminoisonicotinic Acid Methyl Ester is a useful synthetic intermediate. It is used in the synthesis of morpholinophenylquinazolines and related derivatives as PI3 kinase p110α inhibitors. It is also used to synthesize aryl tetrahydropyridine inhibitors of farnesyltransferase as antitumor agents.

Synthesis

67-56-1

7579-20-6

55279-30-6

3-Aminoisonicotinic acid (3.55 g, 25.7 mmol) was added with concentrated sulfuric acid (2.5 ml) and methanol (50 ml), and the reaction was heated to reflux at 80°C for 3 days. After completion of the reaction, methanol was removed by evaporation and the residue was diluted with deionized water (75 ml) and heated to 80 °C. Solid sodium carbonate was added slowly until no gas was produced. The reaction mixture was cooled to room temperature and extracted with dichloromethane (2 x 100 ml). The organic phases were combined, dried with anhydrous magnesium sulfate, filtered and concentrated to give methyl 3-aminoisonicotinate as a beige solid (2.36 g, 60% yield). The product was characterized by 1H NMR (500 MHz, DMSO-d6): δ 8.24 (1H, s), 7.74 (1H, d, J=5.3 Hz), 7.46 (1H, d, J=5.2 Hz), 6.67 (2H, brs), 3.83 (3H, s). The mass spectrum (ES+) showed the molecular ion peak m/z 153 ([M+H]+).

References

[1] Bioorganic and Medicinal Chemistry Letters, 2003, vol. 13, # 7, p. 1359 - 1362
[2] Patent: WO2005/49613, 2005, A1. Location in patent: Page/Page column 38
[3] Patent: WO2008/74749, 2008, A1. Location in patent: Page/Page column 62-63
[4] Chemical Communications, 2016, vol. 52, # 59, p. 9283 - 9286

3-AMINO-ISONICOTINIC ACID METHYL ESTER Preparation Products And Raw materials

Raw materials

Preparation Products

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View Lastest Price from 3-AMINO-ISONICOTINIC ACID METHYL ESTER manufacturers

Henan Aochuang Chemical Co.,Ltd.
Product
3-AMINO-ISONICOTINIC ACID METHYL ESTER 55279-30-6
Price
US $0.00-0.00/kg
Min. Order
1kg
Purity
98%
Supply Ability
1Ton
Release date
2022-10-14
Career Henan Chemical Co
Product
3-AMINO-ISONICOTINIC ACID METHYL ESTER 55279-30-6
Price
US $1.00/kg
Min. Order
1kg
Purity
98%
Supply Ability
500KG
Release date
2018-12-20

55279-30-6, 3-AMINO-ISONICOTINIC ACID METHYL ESTERRelated Search:


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