2-chloro-3-hydroxy-7,8,9,10-tetrahydro-6H-benzo[c]chromen-6-one

Base Information

• Chemical Name: 2-chloro-3-hydroxy-7,8,9,10-tetrahydro-6H-benzo[c]chromen-6-one
• CAS No.: 53391-78-9
• Molecular Formula: C₁₃H₁₁ClO₃
• Molecular Weight: 250.682
• DSSTox Substance ID: DTXSID901168096
• Mol file: 53391-78-9.mol

Synonyms:2-chloro-3-hydroxy-7,8,9,10-tetrahydro-6H-benzo[c]chromen-6-one;53391-78-9;2-chloro-3-hydroxy-7,8,9,10-tetrahydrobenzo[c]chromen-6-one;MFCD01325206;2-chloro-3-hydroxy-6H,7H,8H,9H,10H-cyclohexa[c]chromen-6-one;CBMicro_031840;Oprea1_438610;Oprea1_537991;SCHEMBL4710620;DTXSID901168096;2-Chloro-3-hydroxy-7,8,9,10-tetrahydro-benzo[c]chromen-6-one;BBL029240;STK829232;AKOS000522294;VS-09166;BIM-0031930.P001;CS-0214644;UNM000000581901;UNM000011054601;EN300-186374;SR-01000455564;SR-01000455564-1;Z56773219;2-Chloro-7,8,9,10-tetrahydro-3-hydroxy-6H-dibenzo[b,d]pyran-6-one

Chemical Property of 2-chloro-3-hydroxy-7,8,9,10-tetrahydro-6H-benzo[c]chromen-6-one

Chemical Property:

• XLogP3: 3.1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 250.0396719
• Heavy Atom Count: 17
• Complexity: 377

Purity/Quality:

99% ^*data from raw suppliers

2-Chloro-3-hydroxy-7,8,9,10-tetrahydro-6H-benzo[c]chromen-6-one ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: C1CCC2=C(C1)C3=CC(=C(C=C3OC2=O)O)Cl

Technology Process of 2-chloro-3-hydroxy-7,8,9,10-tetrahydro-6H-benzo[c]chromen-6-one

There total 1 articles about 2-chloro-3-hydroxy-7,8,9,10-tetrahydro-6H-benzo[c]chromen-6-one 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: 79.0%

4-Chlororesorcinol (95-88-5) + ethyl 2-oxocyclohexane carboxylate (1655-07-8) → 2-chloro-3-hydroxy-7,8,9,10-tetrahydro-6H-benzo[c]chromen-6-one (53391-78-9)

Guidance literature:

With sulfuric acid; In ethanol; at 0 - 20 ℃;

DOI:10.1023/A:1022674318345

Reference yield:

2-chloro-3-hydroxy-7,8,9,10-tetrahydro-6H-benzo[c]chromen-6-one (53391-78-9) → [(2-chloro-6-oxo-7,8,9,10-tetrahydrobenzo[c]chromen-3-yl)oxy]acetic acid (326878-33-5)

Guidance literature:

Multi-step reaction with 2 steps

1: 86 percent / K₂CO₃ / acetone / 50 - 56 °C

2: 88 percent / aq. NaOH / Heating

With sodium hydroxide; potassium carbonate; In acetone;

DOI:10.1007/s10600-006-0061-2

upstream raw materials:

4-Chlororesorcinol

ethyl 2-oxocyclohexane carboxylate

Downstream raw materials:

[(2-chloro-6-oxo-7,8,9,10-tetrahydrobenzo[c]chromen-3-yl)oxy]acetic acid

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