Obtusaquinone deriv jurd 2154

Base Information

• Chemical Name: Obtusaquinone deriv jurd 2154
• CAS No.: 51167-48-7
• Molecular Formula: C16H14O3
• Molecular Weight: 254.285
• NSC Number: 269117
• Mol file: 51167-48-7.mol

Synonyms:NSC269117;51167-48-7;NSC-269117;OBTUSAQUINONE DERIV JURD 2154

Chemical Property of Obtusaquinone deriv jurd 2154

Chemical Property:

• Vapor Pressure: 8.37E-08mmHg at 25°C
• Boiling Point: 424.4°Cat760mmHg
• Flash Point: 210.5°C
• Density: 1.266g/cm³
• XLogP3: 3.9
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 254.094294304
• Heavy Atom Count: 19
• Complexity: 309

Purity/Quality:

99%min ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1OC2=C(O1)C=C(C(=C2)CC=CC3=CC=CC=C3)O
• Isomeric SMILES: C1OC2=C(O1)C=C(C(=C2)C/C=C/C3=CC=CC=C3)O

Technology Process of Obtusaquinone deriv jurd 2154

There total 2 articles about Obtusaquinone deriv jurd 2154 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:

Sesamol (533-31-3) + (2E)-3-phenyl-2-propen-1-ol (4407-36-7) → 6-cinnamylbenzo[d][1,3]dioxol-5-ol (51167-48-7)

Guidance literature:

With citric acid; ascorbic acid; In water; for 15h; Reflux;

DOI:10.1039/c4ob02602k

Reference yield:

→ 6-cinnamylbenzo[d][1,3]dioxol-5-ol (51167-48-7)

Guidance literature:

entspr. Verb. 5a, NaBH4;

DOI:10.1016/0040-4020(77)80122-1

Reference yield: 89.0%

6-cinnamylbenzo[d][1,3]dioxol-5-ol (51167-48-7) + α-bromoacetophenone (70-11-1) → trans-(E)-phenyl(7-(4-styrylphenyl)-6,7-dihydrobenzofuro[6,5-d][1,3]dioxol-6-yl)methanone

Guidance literature:

With thiophene; N,N,N',N'-tetramethyl-1,8-diaminonaphthalene; silver(l) oxide; In acetonitrile; at 20 ℃; diastereoselective reaction;

DOI:10.1021/acs.joc.8b02189

upstream raw materials:

Sesamol

(2E)-3-phenyl-2-propen-1-ol

Downstream raw materials:

(E)-6-((E)-3-phenylallylidene)benzo[d][1,3]dioxol-5(6H)-one

(S,E)-6-(1-(2,4-dimethoxyphenyl)-3-phenylallyl)benzo[d][1,3]dioxol-5-ol

(SR,E)-6-(1-(4-methoxyphenyl)-3-phenylallyl)benzo[d][1,3]dioxol-5-ol

Refernces