Furyltriazine

Base Information

• Chemical Name: Furyltriazine
• CAS No.: 4685-18-1
• Molecular Formula: C7H7N5O
• Molecular Weight: 177.19
• NSC Number: 3325
• UNII: DE43KRG5HB
• DSSTox Substance ID: DTXSID20963683
• Nikkaji Number: J16.756H
• Wikidata: Q82945565
• Mol file: 4685-18-1.mol

Synonyms:Furyltriazine;4685-18-1;ENT 22641;ENT 60229;s-Triazine, 2,4-diamino-6-(2-furyl)-;2,4-DIAMINO-6-(2-FURYL)-S-TRIAZINE;1,3,5-Triazine-2,4-diamine, 6-(2-furanyl)-;NSC 3325;DE43KRG5HB;BRN 0162120;AI 3-22641;1,3,5-Triazine-2,4-diamine, 6-(2-furyl)-;NSC-3325;6-(furan-2-yl)-1,3,5-triazine-2,4-diamine;UNII-DE43KRG5HB;SCHEMBL10723578;DTXSID20963683;NSC3325;2,4-diamino-6-furyl-sym-triazine;MFCD01678986;AKOS006278711;s-Triazine,4-diamino-6-(2-furyl)-;s-Triazine,2,4-diamino-6-(2-furyl);WLN: T6N CN ENJ BZ DZ F- BT5OJ;LS-155307;6-(2-furyl)-1,3,5-triazine-2,4-diamine;6-Furan-2-yl-1,3,5-triazine-2,4-diamine;1,5-Triazine-2,4-diamine, 6-(2-furanyl)-;2,4-DIAMINO-6-(2-FURYL)-1,3,5-TRIAZINE;6-(2-FURANYL)-1,3,5-TRIAZINE-2,4-DIAMINE;6-(Furan-2-yl)-1,3,5-triazine-2,4(1H,3H)-diimine

Chemical Property of Furyltriazine

Chemical Property:

• Vapor Pressure: 4.07E-10mmHg at 25°C
• Boiling Point: 499.6°Cat760mmHg
• Flash Point: 256°C
• PSA: 103.85000
• Density: 1.455g/cm³
• LogP: 1.45840
• XLogP3: 0
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 1
• Exact Mass: 177.06505986
• Heavy Atom Count: 13
• Complexity: 168

Purity/Quality:

99% ^*data from raw suppliers

6-(FURAN-2-YL)-1,3,5-TRIAZINE-2,4-DIAMINE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Moderately toxic.
• Hazard Codes: Moderately toxic.

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=COC(=C1)C2=NC(=NC(=N2)N)N

Technology Process of Furyltriazine

There total 5 articles about Furyltriazine 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: 80.0%

furfural (98-01-1) + N-Cyanoguanidine (127099-85-8,780722-26-1,461-58-5) → 2,4-diamino-6-(2-furyl)-1,3,5-triazine (4685-18-1)

Guidance literature:

furfural; With ammonia; iodine; In tetrahydrofuran; water; at 20 ℃; for 1h;

N-Cyanoguanidine; With potassium hydroxide; In tetrahydrofuran; water; for 24h; Further stages.; Heating;

DOI:10.1021/jo026407z

Reference yield:

2-furancarbonitrile (617-90-3) + N-Cyanoguanidine (127099-85-8,780722-26-1,461-58-5) → 2,4-diamino-6-(2-furyl)-1,3,5-triazine (4685-18-1)

Guidance literature:

With piperidine; at 180 ℃;

Reference yield:

furfural (98-01-1) → 2,4-diamino-6-(2-furyl)-1,3,5-triazine (4685-18-1)

Guidance literature:

Multi-step reaction with 2 steps

1: aq. NH₃; iodine / tetrahydrofuran / 1 h / 25 °C

2: tetrahydrofuran; H₂O / 80 °C / microwave irradiation

With ammonium hydroxide; iodine; In tetrahydrofuran; water;

DOI:10.1021/jo0625352

upstream raw materials:

2-furancarbonitrile

N-Cyanoguanidine

methanol

Ethyl 2-furoate

Refernces

• 1、 Shie, Jiun-Jie,Fang, Jim-Min. "Direct conversion of aldehydes to amides, tetrazoles, and triazines in aqueous media by one-pot tandem reactions". . p. 1158 - 1160. Retrieved 2007/10/03.