chroMan-8-aMine

Base Information

• Chemical Name: chroMan-8-aMine
• CAS No.: 113722-25-1
• Molecular Formula: C₉H₁₁NO
• Molecular Weight: 149.192
• European Community (EC) Number: 837-384-1
• Mol file: 113722-25-1.mol

Synonyms:chroMan-8-aMine;113722-25-1;Chroman-8-ylamine;3,4-dihydro-2H-1-benzopyran-8-amine;2H-1-Benzopyran-8-amine, 3,4-dihydro-;3,4-DIHYDRO-2H-CHROMEN-8-AMINE;8-aminochroman;SCHEMBL6584391;AKOS006363843;SB30814;CS-0210781;EN300-108525;N13184

Chemical Property of chroMan-8-aMine

Chemical Property:

• Boiling Point: 291.3±29.0 °C(Predicted)
• PKA: 4.62±0.20(Predicted)
• PSA: 35.25000
• Density: 1.151±0.06 g/cm3(Predicted)
• LogP: 2.17500
• XLogP3: 1.6
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 149.084063974
• Heavy Atom Count: 11
• Complexity: 138

Purity/Quality:

97% ^*data from raw suppliers

3,4-Dihydro-2H-1-benzopyran-8-amine ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CC2=C(C(=CC=C2)N)OC1

Technology Process of chroMan-8-aMine

There total 6 articles about chroMan-8-aMine 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: 92.0%

8-nitro-2H-chromene → chroman-8-amine (113722-25-1)

Guidance literature:

With palladium 10% on activated carbon; hydrogen; In tetrahydrofuran; methanol; ethyl acetate; at 20 ℃; for 20h; under 760.051 Torr;

Reference yield:

2-allyloxy-1-nitro-3-vinyl-benzene → chroman-8-amine (113722-25-1)

Guidance literature:

Multi-step reaction with 2 steps

1: tricyclohexylphosphine[1,3-bis(2,4,6-trimethylphenyl)-4,5-dihydroimidazol-2-ylidine][benzylidene]ruthenium(II) dichloride / dichloromethane / 6 h / 20 °C / Inert atmosphere

2: palladium 10% on activated carbon; hydrogen / methanol; ethyl acetate; tetrahydrofuran / 20 h / 20 °C / 760.05 Torr

With tricyclohexylphosphine[1,3-bis(2,4,6-trimethylphenyl)-4,5-dihydroimidazol-2-ylidine][benzylidene]ruthenium(II) dichloride; palladium 10% on activated carbon; hydrogen; In tetrahydrofuran; methanol; dichloromethane; ethyl acetate;

Reference yield:

2-fluoro-3-bromonitrobenzene (58534-94-4) → chroman-8-amine (113722-25-1)

Guidance literature:

Multi-step reaction with 4 steps

1: potassium carbonate; (1,1'-bis(diphenylphosphino)ferrocene)palladium(II) dichloride / water; 1,4-dioxane / 3.5 h / 90 °C / Inert atmosphere

2: potassium carbonate / 16 h / 60 °C

3: tricyclohexylphosphine[1,3-bis(2,4,6-trimethylphenyl)-4,5-dihydroimidazol-2-ylidine][benzylidene]ruthenium(II) dichloride / dichloromethane / 6 h / 20 °C / Inert atmosphere

4: palladium 10% on activated carbon; hydrogen / methanol; ethyl acetate; tetrahydrofuran / 20 h / 20 °C / 760.05 Torr

With tricyclohexylphosphine[1,3-bis(2,4,6-trimethylphenyl)-4,5-dihydroimidazol-2-ylidine][benzylidene]ruthenium(II) dichloride; (1,1'-bis(diphenylphosphino)ferrocene)palladium(II) dichloride; palladium 10% on activated carbon; hydrogen; potassium carbonate; In tetrahydrofuran; 1,4-dioxane; methanol; dichloromethane; water; ethyl acetate;

upstream raw materials:

chromane

2-fluoro-3-bromonitrobenzene

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