3,5-Diisopropyl-2,6-dimethylbenzoic acid

Base Information

• Chemical Name: 3,5-Diisopropyl-2,6-dimethylbenzoic acid
• CAS No.: 18354-27-3
• Molecular Formula: C₁₅H₂₂O₂
• Molecular Weight: 234.338
• Hs Code.: 2916399090
• DSSTox Substance ID: DTXSID00939725
• Nikkaji Number: J83.352E
• Wikidata: Q82916282
• Mol file: 18354-27-3.mol

Synonyms:3,5-Diisopropyl-2,6-dimethylbenzoic acid;18354-27-3;2,6-dimethyl-3,5-di(propan-2-yl)benzoic acid;BRN 3092733;BENZOIC ACID, 3,5-DIISOPROPYL-2,6-DIMETHYL-;DTXSID00939725;LS-37118

Chemical Property of 3,5-Diisopropyl-2,6-dimethylbenzoic acid

Chemical Property:

• Vapor Pressure: 5.09E-05mmHg at 25°C
• Boiling Point: 334.3°Cat760mmHg
• Flash Point: 162.9°C
• PSA: 37.30000
• Density: 0.998g/cm³
• LogP: 4.24840
• XLogP3: 4.4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 234.161979940
• Heavy Atom Count: 17
• Complexity: 250

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=C(C(=C(C=C1C(C)C)C(C)C)C)C(=O)O

Technology Process of 3,5-Diisopropyl-2,6-dimethylbenzoic acid

There total 2 articles about 3,5-Diisopropyl-2,6-dimethylbenzoic acid 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:

1,5-diisopropyl-2,4-dimethyl-benzene (5186-68-5) → 3,5-Diisopropyl-2,6-dimethylbenzoic acid (18354-27-3)

Guidance literature:

Multi-step reaction with 2 steps

1: Br₂, FeBr₃, I₂ / CCl₄

2: (i) Mg, THF, (ii) CO₂, Et₂O

With ferric(III) bromide; bromine; iodine; In tetrachloromethane;

DOI:10.1021/jm00311a023

Reference yield:

carbon dioxide (124-38-9,18923-20-1) + 1-Brom-3,5-diisopropyl-2,6-dimethyl-benzol (21327-91-3) → 3,5-Diisopropyl-2,6-dimethylbenzoic acid (18354-27-3)

Guidance literature:

Multistep reaction; (i) Mg, THF, (ii) CO₂, Et₂O;

DOI:10.1021/jm00311a023

Reference yield:

3,5-Diisopropyl-2,6-dimethylbenzoic acid (18354-27-3) → 3,5-Diisopropyl-2,6-dimethyl-benzoyl chloride

Guidance literature:

With thionyl chloride; In benzene; for 3.5h; Heating;

DOI:10.1021/je60085a001

upstream raw materials:

carbon dioxide

1-Brom-3,5-diisopropyl-2,6-dimethyl-benzol

1,5-diisopropyl-2,4-dimethyl-benzene

Downstream raw materials:

N-<2-(Dimethylamino)ethyl>-3,5-diisopropyl-2,6-dimethylbenzamide

Post a RFQ

Cas No.:

Product Name:

Quantity:

Please select Metric Ton KG G Pound L ML

Email:

Company name:

Valid Period:

Detailed Requirements:

• Sample
• MOQ
• GMP
• FDA
• Price
  FOB CIF CFR EXW
• Urgent purchase

Enter 15 to 2000 letters.Word count: 0 letters

Attach files(File Format: Jpeg, Jpg, Gif, Png, PDF, PPT, Zip, Rar,Word or Excel Maximum File Size: 3MB)

Remove

Submit

1

What can I do for you?
Get Best Price

Get Best Price for 18354-27-3 3,5-Diisopropyl-2,6-dimethylbenzoic acid

Send

Send

Metric Ton KG G Pound L ML

Send

Send