Naphthalene-1,2,4-triyl triacetate

Base Information

• Chemical Name: Naphthalene-1,2,4-triyl triacetate
• CAS No.: 1785-67-7
• Molecular Formula: C16H14 O6
• Molecular Weight: 302.284
• Hs Code.: 2915390090
• European Community (EC) Number: 217-239-3
• NSC Number: 37159
• UNII: 3JDY6D4U8M
• DSSTox Substance ID: DTXSID40170493
• Nikkaji Number: J125.825G
• Wikidata: Q83040409
• Mol file: 1785-67-7.mol

Synonyms:Naphthalene-1,2,4-triyl triacetate;1785-67-7;1,2,4-Triacetoxynaphthalene;(3,4-diacetyloxynaphthalen-1-yl) acetate;1,4-Triacetoxynaphthalene;3JDY6D4U8M;EINECS 217-239-3;NSC-37159;1,2,4-NAPHTHALENETRIOL, TRIACETATE;NSC37159;UNII-3JDY6D4U8M;1,2,4-triacetyloxynaphthalene;SCHEMBL7918996;1,4-Naphthalenetriol, triacetate;DTXSID40170493;NSC 37159;AKOS024335222;1,4-Bis(acetyloxy)-2-naphthyl acetate;1,4-Bis(acetyloxy)-2-naphthyl acetate #;3,4-bis(acetyloxy)naphthalen-1-yl acetate;FT-0765919

Chemical Property of Naphthalene-1,2,4-triyl triacetate

Chemical Property:

• Vapor Pressure: 2.79E-08mmHg at 25°C
• Boiling Point: 449.7°Cat760mmHg
• Flash Point: 200°C
• PSA: 78.90000
• Density: 1.278g/cm³
• LogP: 2.61570
• XLogP3: 2.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 6
• Exact Mass: 302.07903816
• Heavy Atom Count: 22
• Complexity: 446

Purity/Quality:

98%min ^*data from raw suppliers

1,2,4-NAPHTHALENETRIOL TRIACETATE Aldrich ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(=O)OC1=CC(=C(C2=CC=CC=C21)OC(=O)C)OC(=O)C

Technology Process of Naphthalene-1,2,4-triyl triacetate

There total 19 articles about Naphthalene-1,2,4-triyl triacetate 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: 90.0%

1,1-bis(benzoyloxy)-2(1H)-naphthalenone (13302-29-9) + acetic anhydride (108-24-7) → 1,2,4-triacetyloxynaphthalene (1785-67-7)

Guidance literature:

With sulfuric acid; at 50 ℃; for 2h;

DOI:10.1246/bcsj.61.911

Reference yield: 84.0%

acetic anhydride (108-24-7) + [1,4]naphthoquinone (130-15-4) → 1,2,4-triacetyloxynaphthalene (1785-67-7)

Guidance literature:

With bismuth(lll) trifluoromethanesulfonate; In acetonitrile; at 20 ℃; for 0.75h;

DOI:10.1016/j.tetlet.2004.06.032

Reference yield: 73.3%

acetic anhydride (108-24-7) + 2,2-bis(benzoyloxy)-1(2H)-naphthalenone (95525-97-6) → 1,2,4-triacetyloxynaphthalene (1785-67-7)

Guidance literature:

With sulfuric acid; at 50 ℃; for 2h;

DOI:10.1246/bcsj.61.911

upstream raw materials:

2-hydroxynaphtho-1,4-quinone

acetic anhydride

1,2-naphthoquinone

[1,4]naphthoquinone

Downstream raw materials:

2-hydroxynaphtho-1,4-quinone

2-acetylnaphtho[2,3-b]furan-4,9-quinone

2-(1-hydroxy-ethyl)-naphtho[2,3-b]furan-4,9-dione

benzo[a]naphtho[2',3':4,5]furo[2,3-c]phenazine-11,16-dione

Refernces

• 1、 Yadav,Reddy, B. V. Subba,Swamy,Rao, K. Raghavender. "Bi(OTf)3-catalyzed acylation of p-quinones: A facile synthesis of acylated hydroquinones". . p. 6037 - 6039. Retrieved 2004.
• 2、 Bhatia,Mathw. "". . p. 4057. Retrieved 1966.
• 3、 Zhou, Qifan,Peng, Chen,Du, Fangyu,Zhou, Linbo,Shi, Yajie,Du, Yang,Liu, Dongdong,Sun, Wenjiao,Zhang, Meixia,Chen, Guoliang. "Design, synthesis and activity of BBI608 derivatives targeting on stem cells". . p. 39 - 50. Retrieved 2018/04/02.