(3-Methylfuran-2-yl)methanamine

Base Information

• Chemical Name: (3-Methylfuran-2-yl)methanamine
• CAS No.: 388072-09-1
• Molecular Formula: C6H9 N O
• Molecular Weight: 111.14
• Hs Code.: 2932190090
• European Community (EC) Number: 874-635-4
• DSSTox Substance ID: DTXSID80592690
• Wikidata: Q82486935
• Mol file: 388072-09-1.mol

Synonyms:388072-09-1;(3-methylfuran-2-yl)methanamine;2-(Aminomethyl)-3-methylfuran;(3-methyl-2-furyl)methylamine;1-(3-Methylfuran-2-yl)methanamine;SCHEMBL10511323;DTXSID80592690;MFCD09811371;AKOS000169607;AT17196;PS-3890;SB61235;DB-069725;EN300-220528;A903486;Z291234200

Chemical Property of (3-Methylfuran-2-yl)methanamine

Chemical Property:

• Vapor Pressure: 1.71mmHg at 25°C
• Refractive Index: 1.498
• Boiling Point: 167.3°Cat760mmHg
• PKA: 9.16±0.29(Predicted)
• Flash Point: 55°C
• PSA: 39.16000
• Density: 1.024g/cm³
• LogP: 1.74700
• XLogP3: 0.7
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 111.068413911
• Heavy Atom Count: 8
• Complexity: 74.9

Purity/Quality:

97% ^*data from raw suppliers

2-Aminomethyl-3-methylfuran ^*data from reagent suppliers

Safty Information:

• Hazard Codes: C

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=C(OC=C1)CN
• Uses: 2-Aminomethyl-3-methylfuran is used for preparation and antiprion activity of thiazolecarboxylic acid amides and thiadiazole derivatives.

Technology Process of (3-Methylfuran-2-yl)methanamine

There total 2 articles about (3-Methylfuran-2-yl)methanamine 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:

3-methyl-2-furancarboxamide (84374-70-9) → C-(3-methyl-furan-2-yl)-methylamine (388072-09-1)

Guidance literature:

With lithium aluminium tetrahydride; In tetrahydrofuran; at 50 - 60 ℃; for 5h;

DOI:10.1021/jm9900671

Reference yield:

methyl 3-methylfuran-2-carboxylate (6141-57-7) → C-(3-methyl-furan-2-yl)-methylamine (388072-09-1)

Guidance literature:

Multi-step reaction with 2 steps

1: 63 percent / NaOMe, HCONH₂ / 0.5 h / 100 °C

2: LiAlH₄ / tetrahydrofuran / 5 h / 50 - 60 °C

With lithium aluminium tetrahydride; sodium methylate; formamide; In tetrahydrofuran;

DOI:10.1021/jm9900671

Reference yield: 57.0%

C-(3-methyl-furan-2-yl)-methylamine (388072-09-1) + 2,4-diphenylthiazole-5-carbonyl chloride (857284-13-0) → N-[(3-methylfuran-2-yl)methyl]-2,4-diphenylthiazole-5-carboxamide (1253298-99-5)

Guidance literature:

With N-ethyl-N,N-diisopropylamine; In dichloromethane; at 20 ℃; for 3h; Inert atmosphere;

DOI:10.1002/cmdc.201000217

upstream raw materials:

3-methyl-2-furancarboxamide

methyl 3-methylfuran-2-carboxylate

Downstream raw materials:

benzyl (3-methylfuran-2-yl)methylcarbamate

N-((3-methylfuran-2-yl)methyl)benzamide

N-[(3-methylfuran-2-yl)methyl]-2,4-diphenylthiazole-5-carboxamide

C₂₄H₂₁N₃O₃