5-(3-Methyloctan-2-yl)benzene-1,3-diol

Base Information

• Chemical Name: 5-(3-Methyloctan-2-yl)benzene-1,3-diol
• CAS No.: 10436-52-9
• Molecular Formula: C15H24 O2
• Molecular Weight: 236.354
• NSC Number: 86932
• DSSTox Substance ID: DTXSID40293035
• Nikkaji Number: J801.968A
• Mol file: 10436-52-9.mol

Synonyms:10436-52-9;5-(3-methyloctan-2-yl)benzene-1,3-diol;5-(1,2-dimethylheptyl)resorcinol;NSC86932;SCHEMBL68774;5-(3-methyl-2-octyl)resorcinol;DTXSID40293035;LFAMTYOOZUPASP-UHFFFAOYSA-N;5-(3-methyl-2-octyl) resorcinol;5-(3-methyl-2-octyl)-resorcinol;NSC-86932;5-(1,2-dimethylheptyl)-1,3-benzenediol

Chemical Property of 5-(3-Methyloctan-2-yl)benzene-1,3-diol

Chemical Property:

• Vapor Pressure: 1.13E-05mmHg at 25°C
• Boiling Point: 359.7°Cat760mmHg
• Flash Point: 163.1°C
• Density: 1.002g/cm³
• XLogP3: 5.3
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 6
• Exact Mass: 236.177630004
• Heavy Atom Count: 17
• Complexity: 195

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCCC(C)C(C)C1=CC(=CC(=C1)O)O

Technology Process of 5-(3-Methyloctan-2-yl)benzene-1,3-diol

There total 9 articles about 5-(3-Methyloctan-2-yl)benzene-1,3-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: 96.0%

3-methyl-2-(3,5-dimethoxyphenyl)-octane (56694-85-0) → 5-(1,2-dimethylheptyl)resorcinol (10436-52-9)

Guidance literature:

With boron tribromide; In dichloromethane; cooling;

Reference yield: 40.0%

→ 5-(1,2-dimethylheptyl)resorcinol (10436-52-9) + 1-Benzyl-4-oxo-pyrrolidine-3-carboxylic Acid Ethyl Ester (1027-35-6)

Guidance literature:

Reference yield:

3,5-dimethoxyphenyl 1-methylhexyl ketone (10586-43-3) → 5-(1,2-dimethylheptyl)resorcinol (10436-52-9)

Guidance literature:

Multi-step reaction with 4 steps

1: 93 percent / diethyl ether

2: 93 percent / POCl₃ / pyridine

3: 92 percent / H₂ / 10 percent Pd-C / acetic acid / 4 h

4: 96 percent / BBr₃ / CH₂Cl₂ / cooling

With hydrogen; boron tribromide; trichlorophosphate; palladium on activated charcoal; In pyridine; diethyl ether; dichloromethane; acetic acid; 1: Grignard reaction / 2: Dehydration / 3: Catalytic hydrogenation / 4: demethylation;

upstream raw materials:

3-methyl-2-(3,5-dimethoxyphenyl)-octane

3,5-dimethoxyphenyl 1-methylhexyl ketone

3,5-dimethoxybenzamide

C₅H₁₁CHCH₃MgBr

Downstream raw materials:

2-benzyl-8-(1,2-dimethylheptyl)-10-hydroxy-5-oxo-1,2,3,4-tetrahydro-5H-[1]benzopyrano[4,3-c]pyridine

3-benzyl-8-(1,2-dimethyl-heptyl)-10-hydroxy-1,2,3,4-tetrahydro-chromeno[3,4-c]pyridin-5-one

3-(1,2-dimethyl-heptyl)-1-hydroxy-6-phenyl-9,10,11,11a-tetrahydro-benzo[e]pyrido[1,2-c][1,3]oxazin-8-one

2-benzyl-7-(1,2-dimethyl-heptyl)-9-hydroxy-1,4-dihydro-3H-chromeno[3,4-c]pyrrol-4-one