2-(10-Bromodecyl)-5,6-dimethoxy-3-methylbenzene-1,4-diol

Base Information

• Chemical Name: 2-(10-Bromodecyl)-5,6-dimethoxy-3-methylbenzene-1,4-diol
• CAS No.: 336184-90-8
• Molecular Formula: C19H31 Br O4
• Molecular Weight: 0
• DSSTox Substance ID: DTXSID30698434
• Wikidata: Q82628643
• Mol file: 336184-90-8.mol

Synonyms:336184-90-8;2-(10-bromodecyl)-5,6-dimethoxy-3-methylbenzene-1,4-diol;DTXSID30698434;1,4-Benzenediol, 2-(10-bromodecyl)-5,6-dimethoxy-3-methyl-

Chemical Property of 2-(10-Bromodecyl)-5,6-dimethoxy-3-methylbenzene-1,4-diol

Chemical Property:

• PSA: 58.92000
• LogP: 5.48160
• XLogP3: 6.5
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 12
• Exact Mass: 402.14057
• Heavy Atom Count: 24
• Complexity: 316

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=C(C(=C(C(=C1O)OC)OC)O)CCCCCCCCCCBr

Technology Process of 2-(10-Bromodecyl)-5,6-dimethoxy-3-methylbenzene-1,4-diol

There total 4 articles about 2-(10-Bromodecyl)-5,6-dimethoxy-3-methylbenzene-1,4-diol 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-(10-bromodecyl)-5,6-dimethoxy-3-methylcyclohexa-2,5-diene-1,4-dione (81575-48-6) → C19H31BrO4 (336184-90-8)

Guidance literature:

With sodium dithionite; water; In ethyl acetate; Inert atmosphere;

DOI:10.1016/j.bmc.2010.06.104

Reference yield:

11-bromoundecanoic acid (2834-05-1) → C19H31BrO4 (336184-90-8)

Guidance literature:

Multi-step reaction with 4 steps

1: thionyl chloride / 0.25 h / 90 °C

2: dihydrogen peroxide / pyridine; diethyl ether / 1.75 h / 0 - 20 °C

3: acetic acid / 20 h / 100 °C

4: potassium borohydride / methanol / 0.5 h / 0 °C

With thionyl chloride; potassium borohydride; dihydrogen peroxide; acetic acid; In pyridine; methanol; diethyl ether;

DOI:10.1021/ja204014s

Reference yield:

11-bromoperoxyundecanoic acid (82413-47-6) → C19H31BrO4 (336184-90-8)

Guidance literature:

Multi-step reaction with 2 steps

1: acetic acid / 20 h / 100 °C

2: potassium borohydride / methanol / 0.5 h / 0 °C

With potassium borohydride; acetic acid; In methanol;

DOI:10.1021/ja204014s

upstream raw materials:

2-(10-bromodecyl)-5,6-dimethoxy-3-methylcyclohexa-2,5-diene-1,4-dione

11-bromoundecanoic acid

11-bromoundecanoyl chloride

11-bromoperoxyundecanoic acid

Downstream raw materials:

Bis-6-(10-mercaptodecyl)-bisubiquinone

2,3,4,5-tetramethoxy-6-(10-thioacetyldecyl)-toluene

6-(10-thioacetyldecyl)-ubiquinone

2,3,4,5-tetramethoxy-6-(10-bromodecyl)-toluene