3H-Naphtho[2,1-b]pyran

Base Information

• Chemical Name: 3H-Naphtho[2,1-b]pyran
• CAS No.: 229-80-1
• Molecular Formula: C13H10O
• Molecular Weight: 182.222
• DSSTox Substance ID: DTXSID80490182
• Nikkaji Number: J954.883A
• Wikidata: Q82333839
• Mol file: 229-80-1.mol

Synonyms:Naphthopyran;3H-benzo[f]chromene;229-80-1;3H-Naphtho[2,1-b]pyran;SCHEMBL87841;DTXSID80490182;VCMLCMCXCRBSQO-UHFFFAOYSA-N

Chemical Property of 3H-Naphtho[2,1-b]pyran

Chemical Property:

• PSA: 9.23000
• LogP: 3.24540
• XLogP3: 3.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 182.073164938
• Heavy Atom Count: 14
• Complexity: 233

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1C=CC2=C(O1)C=CC3=CC=CC=C32

Technology Process of 3H-Naphtho[2,1-b]pyran

There total 1 articles about 3H-Naphtho[2,1-b]pyran 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: 85.0%

C18H20O2 → 3H-naphtho[2,1-b]pyran (229-80-1) + pentan-3-one (96-22-0)

Guidance literature:

With 2,3-diazabicyclo[2.2.1]heptane bis-trifluoroacetic acid; In ethanol; at 140 ℃; for 12h; Sealed tube;

DOI:10.1021/acscatal.9b03656

Reference yield: 66.0%

1,1-Diphenylethylene (530-48-3) + 3H-naphtho[2,1-b]pyran (229-80-1) → 9,9-diphenyl-1,9,10,10a-tetrahydro-2H-phenaleno<1,9-bc>pyran

Guidance literature:

With sulfuric acid; acetic acid;

Reference yield: 61.0%

3H-naphtho[2,1-b]pyran (229-80-1) + benzaldehyde (100-52-7) + naphthalen-2-ylamine (91-59-8) → C30H19NO

Guidance literature:

benzaldehyde; naphthalen-2-ylamine; With magnesium sulfate; scandium tris(trifluoromethanesulfonate); In acetonitrile; at 20 ℃; for 0.5h;

3H-naphtho[2,1-b]pyran; In acetonitrile; at 60 ℃; for 24h;

With 2,3-dicyano-5,6-dichloro-p-benzoquinone; at 20 ℃; for 0.5h;

DOI:10.1002/ejoc.201801489

Refernces