Methyl 2-(aminomethyl)isonicotinate

Base Information

• Chemical Name: Methyl 2-(aminomethyl)isonicotinate
• CAS No.: 94413-69-1
• Molecular Formula: C8H10 N2 O2
• Molecular Weight: 166.18
• Hs Code.: 2933399090
• DSSTox Substance ID: DTXSID10478211
• Wikidata: Q72487099
• Mol file: 94413-69-1.mol

Synonyms:94413-69-1;Methyl 2-(aminomethyl)isonicotinate;Methyl 2-(aminomethyl)pyridine-4-carboxylate;4-Pyridinecarboxylic acid, 2-(aminomethyl)-, methyl ester;4-Carbomethoxy-2-pyridinemethanamine;2-AMINOMETHYL-ISONICOTINIC ACID METHYL ESTER;2-Aminomethylisonicotinic acid methyl ester;SCHEMBL4450004;DTXSID10478211;SJROINROTNRUMX-UHFFFAOYSA-N;Methyl2-(aminomethyl)isonicotinate;BCP16995;AKOS016007333;2-Aminomethyl-isonicotinicacidmethylester;FT-0649026;EN300-111396

Chemical Property of Methyl 2-(aminomethyl)isonicotinate

Chemical Property:

• Vapor Pressure: 0.00271mmHg at 25°C
• Refractive Index: 1.547
• Boiling Point: 286°C at 760 mmHg
• PKA: 8.43±0.39(Predicted)
• Flash Point: 126.8°C
• PSA: 65.21000
• Density: 1.182g/cm³
• LogP: 1.82920
• Storage Temp.: 2-8°C
• XLogP3: -0.4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 166.074227566
• Heavy Atom Count: 12
• Complexity: 161

Purity/Quality:

98%,99%, ^*data from raw suppliers

2-Aminomethyl-isonicotinicacidmethylester 95 ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC(=O)C1=CC(=NC=C1)CN
• Uses: Methyl 2-(aminomethyl)pyridine-4-carboxylate, HCl

Technology Process of Methyl 2-(aminomethyl)isonicotinate

There total 2 articles about Methyl 2-(aminomethyl)isonicotinate 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: 98.0%

2-Cyano-4-carbomethoxypyridine (94413-64-6) → 4-carbomethoxy-2-pyridinemethanamine (94413-69-1)

Guidance literature:

With hydrogen; In methanol; at 20 ℃; for 0.5h; under 760.051 Torr;

Reference yield:

2-bromoisonicotinic acid (66572-56-3) → 4-carbomethoxy-2-pyridinemethanamine (94413-69-1)

Guidance literature:

Multi-step reaction with 3 steps

1: caesium carbonate / N,N-dimethyl-formamide / 15 h / 20 °C

2: tetrakis(triphenylphosphine) palladium⁽⁰⁾ / N,N-dimethyl-formamide / 2.5 h / 120 °C / Inert atmosphere

3: 5% palladium on barium sulphate; hydrogenchloride; hydrogen / ethanol; 1,4-dioxane / 4 h / 2844.39 Torr

With hydrogenchloride; tetrakis(triphenylphosphine) palladium⁽⁰⁾; 5% palladium on barium sulphate; hydrogen; caesium carbonate; In 1,4-dioxane; ethanol; N,N-dimethyl-formamide;

upstream raw materials:

2-Cyano-4-carbomethoxypyridine

2-bromoisonicotinic acid

Refernces

• 1、 -. "POLYSUBUNIT OPIOID PRODRUGS RESISTANT TO OVERDOSE AND ABUSE". Paragraph 249. . Retrieved 2018/10/19.
• 2、 -. "AMIDO-BENZYL SULFONE AND SULFONAMIDE DERIVATIVES". Page/Page column 71; 72. . Retrieved 2013/09/12.