(2,5-Dimethyl-3-furyl)methylamine

Base Information

• Chemical Name: (2,5-Dimethyl-3-furyl)methylamine
• CAS No.: 306934-85-0
• Molecular Formula: C₇H₁₁NO
• Molecular Weight: 125.17
• Hs Code.: 2932190090
• DSSTox Substance ID: DTXSID70379856
• Wikidata: Q27465598
• ChEMBL ID: CHEMBL4554784
• Mol file: 306934-85-0.mol

Synonyms:(2,5-dimethyl-3-furyl)methylamine;306934-85-0;(2,5-dimethylfuran-3-yl)methanamine;1-(2,5-Dimethylfuran-3-Yl)methanamine;SCHEMBL657541;F2189-0682;CHEMBL4554784;2,5-Dimethyl-3-furanmethanamine;DTXSID70379856;AGQXLVABIKZJJG-UHFFFAOYSA-N;MFCD02677701;(2,5-Dimethyl-3-furyl) methylamine;AKOS000169186;AT17533;PS-4244;SB61888;[(2,5-Dimethylfuran-3-yl)methyl]amine;FT-0604589;(2,5-dimethyl-3-furyl)methylamine, AldrichCPR;EN300-146300;J-500594;Q27465598;SZ9

Chemical Property of (2,5-Dimethyl-3-furyl)methylamine

Chemical Property:

• Vapor Pressure: 0.993mmHg at 25°C
• Boiling Point: 178.4°Cat760mmHg
• PKA: 9.14±0.29(Predicted)
• Flash Point: 61.7°C
• PSA: 39.16000
• Density: 1.003g/cm³
• LogP: 2.05540
• XLogP3: 0.6
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 125.084063974
• Heavy Atom Count: 9
• Complexity: 94.9

Purity/Quality:

98%min ^*data from raw suppliers

3-(Aminomethyl)-2,5-dimethylfuran ^*data from reagent suppliers

Safty Information:

• Hazard Codes: C,Xn
• Statements: 36/37/38-36-22
• Safety Statements: 26-36/37/39

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC(=C(O1)C)CN

Technology Process of (2,5-Dimethyl-3-furyl)methylamine

There total 2 articles about (2,5-Dimethyl-3-furyl)methylamine 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:

2,5-dimethylfuran-3-carboxamide (66806-31-3) → (2,5-dimethylfuran-3-yl)methanamine (306934-85-0)

Guidance literature:

With lithium aluminium tetrahydride; In tetrahydrofuran; at 0 ℃; for 4h; Reflux;

DOI:10.1039/c8md00474a

Reference yield:

2,5-dimethylfuran-3-carboxylic acid (636-44-2) → (2,5-dimethylfuran-3-yl)methanamine (306934-85-0)

Guidance literature:

Multi-step reaction with 3 steps

1: thionyl chloride / toluene / 2 h / Reflux

2: ammonium hydroxide / water; dichloromethane / 1 h / 0 - 20 °C

3: lithium aluminium tetrahydride / tetrahydrofuran / 4 h / 0 °C / Reflux

With ammonium hydroxide; lithium aluminium tetrahydride; thionyl chloride; In tetrahydrofuran; dichloromethane; water; toluene;

DOI:10.1039/c8md00474a

Reference yield:

(2,5-dimethylfuran-3-yl)methanamine (306934-85-0) + p-cyanobenzenesulfonyl chloride (49584-26-1) → 4-cyano-N-((2,5-dimethylfuran-3-yl)methyl)-benzenesulfonamide

Guidance literature:

With triethylamine; In dichloromethane; at 0 - 20 ℃; for 5h;

DOI:10.1039/c8md00474a

upstream raw materials:

2,5-dimethylfuran-3-carboxamide

2,5-dimethylfuran-3-carboxylic acid