7-Bromochroman

Base Information

• Chemical Name: 7-Bromochroman
• CAS No.: 941710-30-1
• Molecular Formula: C₉H₉BrO
• Molecular Weight: 213.074
• European Community (EC) Number: 890-127-5
• Mol file: 941710-30-1.mol

Synonyms:7-bromochroman;941710-30-1;7-BROMO-3,4-DIHYDRO-2H-1-BENZOPYRAN;7-bromo-3,4-dihydro-2H-chromene;MFCD22536189;SCHEMBL3524411;AKOS023771901;DS-8117;DA-00510;SY117596;CS-0028282;EN300-190621;I11495;A859543

Chemical Property of 7-Bromochroman

Chemical Property:

• Boiling Point: 263.3±29.0 °C(Predicted)
• PSA: 9.23000
• Density: 1.484±0.06 g/cm3(Predicted)
• LogP: 2.77410
• Storage Temp.: Sealed in dry,Room Temperature
• XLogP3: 3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 211.98368
• Heavy Atom Count: 11
• Complexity: 138

Purity/Quality:

97% ^*data from raw suppliers

7-Bromochroman 97% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CC2=C(C=C(C=C2)Br)OC1

Technology Process of 7-Bromochroman

There total 5 articles about 7-Bromochroman 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: 73.3%

7-Bromo-2,3-dihydro-4H-chromen-4-one (18442-22-3) → 3,4-dihydro-2H-7-bromochromene (941710-30-1)

Guidance literature:

With triethylsilane; trifluoroacetic acid; at 20 ℃; for 16h;

Reference yield:

1,4-dibromo-2-(3-bromopropanoxyl)benzene (1037206-46-4) → 3,4-dihydro-2H-7-bromochromene (941710-30-1)

Guidance literature:

With n-butyllithium; In tetrahydrofuran; hexane; at -78 - 20 ℃; for 5h; Inert atmosphere;

DOI:10.1021/acs.jmedchem.7b00949

Reference yield:

2,5-dibromofluorobenzene (1435-52-5) → 3,4-dihydro-2H-7-bromochromene (941710-30-1)

Guidance literature:

Multi-step reaction with 3 steps

1: potassium tert-butylate / 1-methyl-pyrrolidin-2-one / 100 °C / Inert atmosphere

2: phosphorus tribromide / toluene / 4 h / 90 °C / Inert atmosphere

3: n-butyllithium / tetrahydrofuran; hexane / 5 h / -78 - 20 °C / Inert atmosphere

With n-butyllithium; potassium tert-butylate; phosphorus tribromide; In tetrahydrofuran; 1-methyl-pyrrolidin-2-one; hexane; toluene;

DOI:10.1021/acs.jmedchem.7b00949

upstream raw materials:

2,5-dibromofluorobenzene

1,4-dibromo-2-(3-bromopropanoxyl)benzene

7-Bromo-2,3-dihydro-4H-chromen-4-one

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