(-)-Cyclopenol

Base Information

• Chemical Name: (-)-Cyclopenol
• CAS No.: 20007-85-6
• Deprecated CAS: 11043-40-6,14484-43-6,22140-01-8
• Molecular Formula: C₁₇H₁₄N₂O₄
• Molecular Weight: 310.309
• European Community (EC) Number: 803-267-9
• UNII: 4Q2498L80A
• ChEMBL ID: CHEMBL1602950
• DSSTox Substance ID: DTXSID60941985
• Wikidata: Q27260352
• Mol file: 20007-85-6.mol

Synonyms:cyclopenol

Chemical Property of (-)-Cyclopenol

Chemical Property:

• Melting Point: 215℃ (decomposition)
• Boiling Point: 633.2°Cat760mmHg
• PKA: 9.62±0.10(Predicted)
• Flash Point: 336.7°C
• PSA: 82.17000
• Density: 1.5g/cm³
• LogP: 1.96000
• Storage Temp.: ?20°C
• XLogP3: 1.1
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 1
• Exact Mass: 310.09535693
• Heavy Atom Count: 23
• Complexity: 525

Purity/Quality:

98% ^*data from raw suppliers

Cyclopenol ≥95% (LC/MS-ELSD) ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xn,N
• Statements: 22-50
• Safety Statements: 61

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CN1C(=O)C2=CC=CC=C2NC(=O)C13C(O3)C4=CC(=CC=C4)O
• Isomeric SMILES: CN1C(=O)C2=CC=CC=C2NC(=O)[C@@]13[C@H](O3)C4=CC(=CC=C4)O

Technology Process of (-)-Cyclopenol

There total 2 articles about (-)-Cyclopenol 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:

3'c-(3-acetoxy-phenyl)-4-methyl-1H-(2'rN)-spiro[benzo[e][1,4]diazepine-3,2'-oxirane]-2,5-dione (25673-62-5) → cyclopenol (20007-85-6,25673-63-6)

Guidance literature:

With potassium hydroxide; In ethanol; for 2h; Ambient temperature;

DOI:10.1016/0040-4020(70)85023-2

Reference yield:

trans-3-(3-acetoxybenzylidene)-3,4-dihydro-4-methyl-1H-1,4-benzodiazepine-2,5-dione (25673-60-3) → cyclopenol (20007-85-6,25673-63-6)

Guidance literature:

Multi-step reaction with 2 steps

1: MCPBA / CHCl₃ / 336 h / Ambient temperature

2: aq. KOH / ethanol / 2 h / Ambient temperature

With potassium hydroxide; 3-chloro-benzenecarboperoxoic acid; In ethanol; chloroform;

DOI:10.1016/0040-4020(70)85023-2

upstream raw materials:

3'c-(3-acetoxy-phenyl)-4-methyl-1H-(2'rN)-spiro[benzo[e][1,4]diazepine-3,2'-oxirane]-2,5-dione

trans-3-(3-acetoxybenzylidene)-3,4-dihydro-4-methyl-1H-1,4-benzodiazepine-2,5-dione

Refernces