5,6-Dichloro-2,3-dihydro-1H-inden-1-OL

Base Information

• Chemical Name: 5,6-Dichloro-2,3-dihydro-1H-inden-1-OL
• CAS No.: 130569-31-2
• Molecular Formula: C₉H₈Cl₂O
• Molecular Weight: 203.068
• DSSTox Substance ID: DTXSID80601317
• Mol file: 130569-31-2.mol

Synonyms:5,6-DICHLORO-2,3-DIHYDRO-1H-INDEN-1-OL;130569-31-2;SCHEMBL9251756;DTXSID80601317;BVMSVJNZBKHOLJ-UHFFFAOYSA-N;AM9108;AKOS015999875;DB-358675;Y13968

Chemical Property of 5,6-Dichloro-2,3-dihydro-1H-inden-1-OL

Chemical Property:

• Boiling Point: 315.2±42.0 °C(Predicted)
• PKA: 13.50±0.20(Predicted)
• PSA: 20.23000
• Density: 1.456±0.06 g/cm3(Predicted)
• LogP: 2.97300
• Storage Temp.: 2-8°C
• XLogP3: 2.7
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 201.9952203
• Heavy Atom Count: 12
• Complexity: 174

Purity/Quality:

99%, ^*data from raw suppliers

5,6-Dichloro-2,3-dihydro-1H-inden-1-ol 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CC2=CC(=C(C=C2C1O)Cl)Cl

Technology Process of 5,6-Dichloro-2,3-dihydro-1H-inden-1-OL

There total 4 articles about 5,6-Dichloro-2,3-dihydro-1H-inden-1-OL 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:

5,6-dichloro-2,3-dihydro-1H-inden-1-one (68755-31-7) → 5,6-dichloro-2,3-dihydro-1H-inden-1-ol (130569-31-2)

Guidance literature:

With sodium tetrahydroborate; at 10 - 20 ℃;

DOI:10.1021/acs.jmedchem.6b00624

Reference yield:

3(3,4-dichlorophenyl)propanoic acid (25173-68-6) → 5,6-dichloro-2,3-dihydro-1H-inden-1-ol (130569-31-2)

Guidance literature:

Multi-step reaction with 3 steps

1: oxalyl dichloride / dichloromethane; N,N-dimethyl-formamide / 6 h

2: aluminum (III) chloride / dichloromethane / 3 h / 0 °C / Reflux

3: sodium tetrahydroborate / 10 - 20 °C

With aluminum (III) chloride; sodium tetrahydroborate; oxalyl dichloride; In dichloromethane; N,N-dimethyl-formamide;

DOI:10.1021/acs.jmedchem.6b00624

Reference yield:

3-(3,4-dichlorophenyl)propionic acid chloride (90273-67-9) → 5,6-dichloro-2,3-dihydro-1H-inden-1-ol (130569-31-2)

Guidance literature:

Multi-step reaction with 2 steps

1: aluminum (III) chloride / dichloromethane / 3 h / 0 °C / Reflux

2: sodium tetrahydroborate / 10 - 20 °C

With aluminum (III) chloride; sodium tetrahydroborate; In dichloromethane;

DOI:10.1021/acs.jmedchem.6b00624

upstream raw materials:

3(3,4-dichlorophenyl)propanoic acid

3-(3,4-dichlorophenyl)propionic acid chloride

5,6-dichloro-2,3-dihydro-1H-inden-1-one

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