1,2,3,4-Tetrahydro-1,2-anthracenediol dibenzoate, trans-

Base Information

• Chemical Name: 1,2,3,4-Tetrahydro-1,2-anthracenediol dibenzoate, trans-
• CAS No.: 60967-91-1
• Molecular Formula: C₂₈H₂₂O₄
• Molecular Weight: 422.48
• DSSTox Substance ID: DTXSID80976436
• Wikidata: Q82961332
• Mol file: 60967-91-1.mol

Synonyms:1,2,3,4-Tetrahydro-1,2-anthracenediol dibenzoate, trans-;60967-91-1;1,2-Anthracenediol, 1,2,3,4-tetrahydro-, dibenzoate, trans-;DTXSID80976436;1,2,3,4-Tetrahydroanthracene-1,2-diyl dibenzoate

Chemical Property of 1,2,3,4-Tetrahydro-1,2-anthracenediol dibenzoate, trans-

Chemical Property:

• Vapor Pressure: 5.14E-14mmHg at 25°C
• Boiling Point: 592.6°C at 760 mmHg
• Flash Point: 302.4°C
• Density: 1.28g/cm³
• XLogP3: 6.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 6
• Exact Mass: 422.15180918
• Heavy Atom Count: 32
• Complexity: 648

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: C1CC2=CC3=CC=CC=C3C=C2C(C1OC(=O)C4=CC=CC=C4)OC(=O)C5=CC=CC=C5
• Isomeric SMILES: C1CC2=CC3=CC=CC=C3C=C2[C@H]([C@@H]1OC(=O)C4=CC=CC=C4)OC(=O)C5=CC=CC=C5

Technology Process of 1,2,3,4-Tetrahydro-1,2-anthracenediol dibenzoate, trans-

There total 1 articles about 1,2,3,4-Tetrahydro-1,2-anthracenediol dibenzoate, trans- 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:

1,2-dihydroanthracene (58746-82-0) + silver benzoate (532-31-0) → trans-1,2-Dibenzoyloxy-1,2,3,4-tetrahydroanthracen (60967-91-1)

Guidance literature:

With iodine;

DOI:10.1021/jo00424a036

Reference yield:

trans-1,2-Dibenzoyloxy-1,2,3,4-tetrahydroanthracen (60967-91-1) → trans-1,2-dihydroxy-1,2-dihydroanthracene (4841-37-6)

Guidance literature:

Multi-step reaction with 3 steps

1: NBS, AIBN

2: NaHCO₃

3: NaOMe

With N-Bromosuccinimide; 2,2'-azobis(isobutyronitrile); sodium methylate; sodium hydrogencarbonate;

DOI:10.1021/jo00424a036

Reference yield:

trans-1,2-Dibenzoyloxy-1,2,3,4-tetrahydroanthracen (60967-91-1) → 4β-Brom-1β,2α-dibenzoyloxy-1,2,3,4-tetrahydroanthracen

Guidance literature:

With N-Bromosuccinimide; 2,2'-azobis(isobutyronitrile);

DOI:10.1021/jo00424a036

upstream raw materials:

1,2-dihydroanthracene

silver benzoate

Downstream raw materials:

trans-1,2-dihydroxy-1,2-dihydroanthracene