1-Acenaphthenol

Base Information

• Chemical Name: 1-Acenaphthenol
• CAS No.: 6306-07-6
• Molecular Formula: C12H10 O
• Molecular Weight: 170.211
• European Community (EC) Number: 228-618-8
• NSC Number: 22834
• DSSTox Substance ID: DTXSID20951449
• Nikkaji Number: J149.743J
• Mol file: 6306-07-6.mol

Synonyms:acenaphthene-1-ol

Chemical Property of 1-Acenaphthenol

Chemical Property:

• Appearance/Colour: white to cream solid
• Vapor Pressure: 4.2E-06mmHg at 25°C
• Melting Point: 145-148 °C(lit.)
• Refractive Index: 1.741
• Boiling Point: 369.2oC at 760 mmHg
• PKA: 13.68±0.20(Predicted)
• Flash Point: 129oC
• PSA: 20.23000
• Density: 1.29g/cm3
• LogP: 2.42930
• Storage Temp.: -20°C Freezer
• Solubility.: Chloroform (Slightly, Sonicated), Methanol (Slightly)
• XLogP3: 2.4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 170.073164938
• Heavy Atom Count: 13
• Complexity: 201

Purity/Quality:

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

1-Acenaphthenol ^*data from reagent suppliers

Safty Information:

• Safety Statements: S24/25:Avoid contact with skin and eyes.

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: C1C(C2=CC=CC3=C2C1=CC=C3)O
• Description: 1-Acenaphthenol is a white to cream solid in appearance. It is almost insoluble in water. 1-Acenaphthenol is a stable and combustible chemical substance. It is incompatible with strong oxidising agents. It is used in the syntheses of organic compounds. Exposures to 1-acenaphthenol cause irritant effects. It is harmful by ingestion, inhalation, as well as through skin absorption. There are no complete data on the toxicology of 1-acenaphthenol.
• Uses: 1-Acenaphthenol is a product of the microbial metabolism and photolysis of acenaphthene, of acenaphthene, a polycyclic hydrocarbon that has potential to act as polyploidizing agents in plants. 1-Acenaphthenol is also a known substrate of dihydrodiol dehydrogenases.

Technology Process of 1-Acenaphthenol

There total 40 articles about 1-Acenaphthenol 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: 97.9%

(R)-(+)-1,2-dihydroacenaphthylen-1-yl acetate (14966-36-0) → (R)-1,2-dihydroacenaphthylen-1-ol (6306-07-6,92720-77-9,121961-98-6,121961-97-5)

Guidance literature:

With lithium hydroxide; In tetrahydrofuran; at 20 ℃; for 24h; enantioselective reaction;

Reference yield: 94.2%

1(2H)-acenaphthylenone (2235-15-6) → 1-acenaphthenol (6306-07-6)

Guidance literature:

With hydrogen; In methanol; at 100 ℃; under 30003 Torr; Temperature; Autoclave;

Reference yield: 88.0%

acenaphthylene (208-96-8,25036-01-5) → 1-acenaphthenol (6306-07-6)

Guidance literature:

With sodium tetrahydroborate; titanium tetrachloride; In 1,2-dimethoxyethane; Ambient temperature;

DOI:10.1039/c39800000414

upstream raw materials:

1-acetoxyacenaphthene

acenaphthene

isobutylmagnesium bromide

1(2H)-acenaphthylenone

Downstream raw materials:

(R)-(+)-1,2-dihydroacenaphthylen-1-yl acetate

(R)-1,2-dihydroacenaphthylen-1-ol

(S)-(+)-1,2-dihydroacenaphthylen-1-ol

C₄₂H₄₃N₃O₂

Refernces

• 1、 Ghigi. "-". . p. 71,80. Retrieved 1943.
• 2、 Yoshimatsu, Shuhei,Yamada, Akira,Nakata, Kenya. "Silylative Kinetic Resolution of Racemic 1-Indanol Derivatives Catalyzed by Chiral Guanidine". . p. 452 - 458. Retrieved 2018/02/19.
• 3、 Zheng, Long-Sheng,Llopis, Quentin,Echeverria, Pierre-Georges,Férard, Charlène,Guillamot, Gérard,Phansavath, Phannarath,Ratovelomanana-Vidal, Virginie. "Asymmetric Transfer Hydrogenation of (Hetero)arylketones with Tethered Rh(III)-N-(p-Tolylsulfonyl)-1,2-diphenylethylene-1,2-diamine Complexes: Scope and Limitations". . p. 5607 - 5615. Retrieved 2017/06/07.