7-Octene-1,2-diol

Base Information

• Chemical Name: 7-Octene-1,2-diol
• CAS No.: 85866-02-0
• Molecular Formula: C8H16O2
• Molecular Weight: 144.214
• Hs Code.: 2905399090
• European Community (EC) Number: 288-704-6
• DSSTox Substance ID: DTXSID201006437
• Nikkaji Number: J236.399B
• Mol file: 85866-02-0.mol

Synonyms:7-Octene-1,2-diol;Oct-7-ene-1,2-diol;85866-02-0;EINECS 288-704-6;7,8-dihydroxy-1-octene;7-octen-1,2-diol;SCHEMBL346306;7-Octene-1,2-diol, 97%;UXGHWJFURBQKCJ-UHFFFAOYSA-;DTXSID201006437;AKOS015916715;FT-0692972;J-640347;J-800350

Chemical Property of 7-Octene-1,2-diol

Chemical Property:

• Vapor Pressure: 0.00238mmHg at 25°C
• Refractive Index: n20/D 1.4625(lit.)
• Boiling Point: 256°Cat760mmHg
• PKA: 14.44±0.20(Predicted)
• Flash Point: 118.5°C
• PSA: 40.46000
• Density: 0.954g/cm³
• LogP: 1.08600
• XLogP3: 1.3
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 6
• Exact Mass: 144.115029749
• Heavy Atom Count: 10
• Complexity: 81.3

Purity/Quality:

98%,99%, ^*data from raw suppliers

7-Octene-1,2-diol ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C=CCCCCC(CO)O

Technology Process of 7-Octene-1,2-diol

There total 3 articles about 7-Octene-1,2-diol 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: 85.5%

1,2-epoxy-7-octene (52485-73-1,105205-70-7,126872-17-1,19600-63-6) → 7-octene-1,2-diol (85866-02-0)

Guidance literature:

With sulfuric acid; water; In tetrahydrofuran; for 15h; Ambient temperature;

Reference yield:

1,7-Octadiene (3710-30-3) → 7-octene-1,2-diol (85866-02-0)

Guidance literature:

Multi-step reaction with 2 steps

1: 65.1 percent / m-chloroperbenzoic acid / CH₂Cl₂ / 24 h / Ambient temperature

2: 85.5 percent / sulphuric acid, water / tetrahydrofuran / 15 h / Ambient temperature

With sulfuric acid; water; 3-chloro-benzenecarboperoxoic acid; In tetrahydrofuran; dichloromethane;

Reference yield:

→ 7-octene-1,2-diol (85866-02-0)

Guidance literature:

upstream raw materials:

1,2-epoxy-7-octene

1,7-Octadiene

Downstream raw materials:

methyl (2S,6S,12Z,13aS,14aR,16aS)-6-[(tert-butoxycarbonyl)amino]-2-hydroxy-5,16-dioxo-1,2,3,6,7,8,9,10,11,13a,14,15,16,16a-tetradecahydrocyclopropa[e]pyrrolo[1,2-a][1,4]diazacyclopentadecine-14a(5H)-carboxylate

ciluprevir

ethyl (S)-2-acetamido-8-nonenoate

ethyl (Z)-2-acetamido-2,8-nonadienoate