Methyl alpha-fluoro-4-methylbenzeneacetate

Base Information

Chemical Name:Methyl alpha-fluoro-4-methylbenzeneacetate
CAS No.:103807-51-8
Molecular Formula:C₁₀H₁₁FO₂
Molecular Weight:182.195
Hs Code.:
DSSTox Substance ID:DTXSID301283101

Synonyms:Methyl alpha-fluoro-4-methylbenzeneacetate;SCHEMBL11861772;DTXSID301283101;103807-51-8

Suppliers and Price of Methyl alpha-fluoro-4-methylbenzeneacetate

Supply Marketing:

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

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Chemical Property of Methyl alpha-fluoro-4-methylbenzeneacetate

Chemical Property:

XLogP3:2.6
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:3
Exact Mass:182.07430775
Heavy Atom Count:13
Complexity:174

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:

Useful:

Canonical SMILES:CC1=CC=C(C=C1)C(C(=O)OC)F

Technology Process of Methyl alpha-fluoro-4-methylbenzeneacetate

There total 5 articles about Methyl alpha-fluoro-4-methylbenzeneacetate 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: 59.0%

: 73764-13-3
methyl (4-methylphenyl)diazoacetate

: 103807-51-8
methyl (±)-2-fluoro-2-(p-tolyl)acetate

Guidance literature:: With potassium fluoride; tetrakis(actonitrile)copper(I) hexafluorophosphate; 1,1,1,3',3',3'-hexafluoro-propanol; 2,2'-isopropylidenebis[(4S)-4-tert-butyl-2-oxazoline]; In 1,2-dichloro-ethane; at 40 ℃; for 1h; Inert atmosphere;
DOI:10.1021/jacs.6b06770

Reference yield:

: 2826-25-7
2-(4-methylbenzylidene)malononitrile

: 103807-51-8
methyl (±)-2-fluoro-2-(p-tolyl)acetate

Guidance literature:: Multi-step reaction with 2 steps

1: 2.5 N sodium hypochlorite, 2 N sulfuric acid / acetonitrile / 0.5 h / Ambient temperature

2: 1.) HF/pyridine / 1.) CH₂Cl₂, 2 deg C, 3 d

With pyridine; sodium hypochlorite; sulfuric acid; hydrogen fluoride; In acetonitrile;
DOI:10.1016/S0040-4020(01)90607-6

Reference yield:

: 102862-46-4
3-p-Tolyl-oxirane-2,2-dicarbonitrile

: 103807-51-8
methyl (±)-2-fluoro-2-(p-tolyl)acetate

Guidance literature:: Multi-step reaction with 2 steps

1: Py*(HF)_x / CH₂Cl₂ / 72 h / 25 °C

2: CH₂Cl₂ / 168 h / 25 °C

With Py*(HF)_x; In dichloromethane;
DOI:10.1080/00397919608003723