7-Methoxychroman-3-amine

Base Information

• Chemical Name: 7-Methoxychroman-3-amine
• CAS No.: 119755-64-5
• Molecular Formula: C₁₀H₁₃NO₂
• Molecular Weight: 179.219
• Hs Code.: 2932999099
• DSSTox Substance ID: DTXSID70388807
• Nikkaji Number: J2.184.319I
• Mol file: 119755-64-5.mol

Synonyms:7-methoxychroman-3-amine;119755-64-5;7-methoxy-3,4-dihydro-2H-1-benzopyran-3-amine;7-methoxy-3,4-dihydro-2H-chromen-3-amine;7-METHOXY-CHROMAN-3-YLAMINE;3-amino-7-methoxychroman;3-amino -7-methoxychroman;SCHEMBL432767;2H-1-BENZOPYRAN-3-AMINE,3,4-DIHYDRO-7-METHOXY;DTXSID70388807;JGIHXVOYCDUASG-UHFFFAOYSA-N;AKOS005217890;AB50067;CS-0303276;EN300-89351

Chemical Property of 7-Methoxychroman-3-amine

Chemical Property:

• Boiling Point: 298.5±40.0 °C(Predicted)
• PKA: 7.88±0.20(Predicted)
• PSA: 44.48000
• Density: 1.128±0.06 g/cm3(Predicted)
• LogP: 1.65770
• XLogP3: 1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 179.094628657
• Heavy Atom Count: 13
• Complexity: 174

Purity/Quality:

98%Min ^*data from raw suppliers

2H-1-BENZOPYRAN-3-AMINE,3,4-DIHYDRO-7-METHOXY 95 ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1=CC2=C(CC(CO2)N)C=C1

Technology Process of 7-Methoxychroman-3-amine

There total 3 articles about 7-Methoxychroman-3-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: 90.0%

7-methoxy-3-nitro-3,4-dihydro-2H-1-benzopyran (223772-32-5) → 7-methoxy-3-amino-3,4-dihydro-2H-1-benzopyran (119755-64-5)

Guidance literature:

With nickel; hydrazine hydrate; In ethanol; at 45 ℃; for 0.5h;

DOI:10.1016/S0968-0896(98)00239-9

Reference yield:

7-methoxychroman-3-one O-methyl oxime (1034770-46-1) → 7-methoxy-3-amino-3,4-dihydro-2H-1-benzopyran (119755-64-5)

Guidance literature:

With ammonia; hydrogen; nickel; In methanol; at 20 ℃; for 3h; under 3102.97 Torr;

Reference yield:

7-methoxy-3-nitro-2H-1-benzopyran (92210-60-1) → 7-methoxy-3-amino-3,4-dihydro-2H-1-benzopyran (119755-64-5)

Guidance literature:

Multi-step reaction with 2 steps

1: 92 percent / NaBH₄, SiO₂ / CHCl₃; propan-2-ol / 0.25 h / Ambient temperature

2: 90 percent / N₂H₄*H₂O, Raney Ni / ethanol / 0.5 h / 45 °C

With sodium tetrahydroborate; silica gel; nickel; hydrazine hydrate; In ethanol; chloroform; isopropyl alcohol;

DOI:10.1016/S0968-0896(98)00239-9

upstream raw materials:

7-methoxy-3-nitro-3,4-dihydro-2H-1-benzopyran

7-methoxy-3-nitro-2H-1-benzopyran

7-methoxychroman-3-one O-methyl oxime

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