5-tert-Butyl-m-toluic acid

Base Information

• Chemical Name: 5-tert-Butyl-m-toluic acid
• CAS No.: 17484-28-5
• Molecular Formula: C12H16 O2
• Molecular Weight: 192.258
• Hs Code.: 2916399090
• European Community (EC) Number: 241-499-7
• DSSTox Substance ID: DTXSID30938589
• Nikkaji Number: J287.064I
• Wikidata: Q82914931
• Mol file: 17484-28-5.mol

Synonyms:3-tert-butyl-5-methylbenzoic acid;5-tert-Butyl-m-toluic acid;17484-28-5;EINECS 241-499-7;SCHEMBL8227380;DTXSID30938589;STK360617;AKOS005442353;3-(1,1-Dimethylethyl)-5-methylbenzoic acid;FT-0752523

Chemical Property of 5-tert-Butyl-m-toluic acid

Chemical Property:

• Vapor Pressure: 0.000595mmHg at 25°C
• Boiling Point: 297.7°Cat760mmHg
• Flash Point: 142.8°C
• PSA: 37.30000
• Density: 1.039g/cm³
• LogP: 2.99070
• XLogP3: 3.5
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 192.115029749
• Heavy Atom Count: 14
• Complexity: 215

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC(=CC(=C1)C(C)(C)C)C(=O)O

Technology Process of 5-tert-Butyl-m-toluic acid

There total 5 articles about 5-tert-Butyl-m-toluic 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:

5-tert-Butyl-m-xylene (98-19-1) → 3-tert-butyl-5-methyl-benzoic acid (17484-28-5)

Guidance literature:

With nitric acid; at 240 ℃; im zugeschmolzenen Rohr;

Reference yield:

1-(3-tert-butyl-5-methyl-phenyl)-ethanone (132777-91-4) → 3-tert-butyl-5-methyl-benzoic acid (17484-28-5)

Guidance literature:

With sodium hypobromide;

DOI:10.1021/jo01352a004

Reference yield:

1-ethyl-3-tert-butyl-5-methyl-benzene (6630-01-9) → 3-tert-butyl-5-methyl-benzoic acid (17484-28-5)

Guidance literature:

Multi-step reaction with 2 steps

1: oxygen; manganese naphthenate

2: NaBrO

With sodium hypobromide; magnesium naphthenate; oxygen;

DOI:10.1021/jo01352a004

upstream raw materials:

5-tert-Butyl-m-xylene

1-(3-tert-butyl-5-methyl-phenyl)-ethanone

nitric acid

1-ethyl-3-tert-butyl-5-methyl-benzene