Acetic acid (4-acetyloxy-6,7-dimethyl-5,8-dihydronaphthalen-1-yl) ester

Base Information

• Chemical Name: Acetic acid (4-acetyloxy-6,7-dimethyl-5,8-dihydronaphthalen-1-yl) ester
• CAS No.: 57998-99-9
• Molecular Formula: C16H18O4
• Molecular Weight: 274.3117
• NSC Number: 180964
• DSSTox Substance ID: DTXSID50306887
• Wikidata: Q27188414
• ChEMBL ID: CHEMBL1581537
• Mol file: 57998-99-9.mol

Synonyms:MLS000756408;57998-99-9;NSC180964;CHEMBL1581537;DTXSID50306887;CHEBI:109327;HMS2884P21;NSC-180964;SMR000528717;Q27188414;acetic acid (4-acetyloxy-6,7-dimethyl-5,8-dihydronaphthalen-1-yl) ester

Chemical Property of Acetic acid (4-acetyloxy-6,7-dimethyl-5,8-dihydronaphthalen-1-yl) ester

Chemical Property:

• Vapor Pressure: 1.08E-06mmHg at 25°C
• Boiling Point: 402.7°Cat760mmHg
• Flash Point: 200.5°C
• Density: 1.139g/cm³
• XLogP3: 2.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 4
• Exact Mass: 274.12050905
• Heavy Atom Count: 20
• Complexity: 398

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=C(CC2=C(C=CC(=C2C1)OC(=O)C)OC(=O)C)C

Technology Process of Acetic acid (4-acetyloxy-6,7-dimethyl-5,8-dihydronaphthalen-1-yl) ester

There total 6 articles about Acetic acid (4-acetyloxy-6,7-dimethyl-5,8-dihydronaphthalen-1-yl) ester 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:

2,3-dimethyl-buta-1,3-diene (513-81-5) → 5,8-diacetoxy-2,3-dimethyl-1,4-dihydro-naphthalene (57998-99-9)

Guidance literature:

Multi-step reaction with 3 steps

1: ethanol / 20 °C

2: aq.-ethanolic HCl

With hydrogenchloride; ethanol;

DOI:10.1039/jr9480001499

Reference yield:

p-benzoquinone (106-51-4) → 5,8-diacetoxy-2,3-dimethyl-1,4-dihydro-naphthalene (57998-99-9)

Guidance literature:

Multi-step reaction with 3 steps

1: ethanol / 20 °C

2: aq.-ethanolic HCl

With hydrogenchloride; ethanol;

DOI:10.1039/jr9480001499

Reference yield:

8,9-dimethylbicyclo<4.4.O>deca-3,8-diene-2,5-dione (35774-01-7) → 5,8-diacetoxy-2,3-dimethyl-1,4-dihydro-naphthalene (57998-99-9)

Guidance literature:

Multi-step reaction with 2 steps

1: aq.-ethanolic HCl

With hydrogenchloride;

DOI:10.1039/jr9480001499

upstream raw materials:

8,9-dimethylbicyclo<4.4.O>deca-3,8-diene-2,5-dione

acetic anhydride

6,7-dimetil-5,8-dihidro-1,4-naftohidroquinona

2,3-dimethyl-buta-1,3-diene