Tert butyl 2-{4-(methyl)phenyl}-2,2-difluoroacetate

Base Information

Chemical Name:Tert butyl 2-{4-(methyl)phenyl}-2,2-difluoroacetate
CAS No.:131323-07-4
Molecular Formula:C₁₃H₁₆F₂O₂
Molecular Weight:242.266
Hs Code.:
DSSTox Substance ID:DTXSID601212674

Synonyms:tert butyl 2-{4-(methyl)phenyl}-2,2-difluoroacetate;SCHEMBL9077709;DTXSID601212674;1,1-Dimethylethyl alpha,alpha-difluoro-4-methylbenzeneacetate;131323-07-4

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

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Chemical Property of Tert butyl 2-{4-(methyl)phenyl}-2,2-difluoroacetate

Chemical Property:

XLogP3:3.8
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:4
Exact Mass:242.11183607
Heavy Atom Count:17
Complexity:274

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:

Useful:

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

Technology Process of Tert butyl 2-{4-(methyl)phenyl}-2,2-difluoroacetate

There total 4 articles about Tert butyl 2-{4-(methyl)phenyl}-2,2-difluoroacetate 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: 61.0%

: 75716-86-8
α-(4-methylphenyl)-α-oxoacetic acid tert-butyl ester

: 131323-07-4
1,1-dimethylethyl 2-(4-methylphenyl)-2,2-difluoroacetate

Guidance literature:: With diethylamino-sulfur trifluoride; Ambient temperature;
DOI:10.1016/S0040-4020(99)00076-9

Reference yield:

: 5524-56-1
ethyl 2-p-tolyl-2-oxoacetate

: 131323-07-4
1,1-dimethylethyl 2-(4-methylphenyl)-2,2-difluoroacetate

Guidance literature:: Multi-step reaction with 4 steps

1: 85 percent / (dimethylamido)sulfur trifluoride (DAST) / 0 - 20 °C

2: 84 percent / 5 N aq. KOH / acetonitrile / 1 h / Ambient temperature

3: oxalyl chloride, DMF / toluene / 20 h / Ambient temperature

4: DMF / toluene / 24 h / Ambient temperature

With potassium hydroxide; oxalyl dichloride; (dimethylamido)sulfur trifluoride; N,N-dimethyl-formamide; In toluene; acetonitrile;
DOI:10.1021/jm00107a037

Reference yield:

: 131323-06-3
α,α-difluoro-4-methylbenzeneacetic acid ethyl ester

: 131323-07-4
1,1-dimethylethyl 2-(4-methylphenyl)-2,2-difluoroacetate

Guidance literature:: Multi-step reaction with 3 steps

1: 84 percent / 5 N aq. KOH / acetonitrile / 1 h / Ambient temperature

2: oxalyl chloride, DMF / toluene / 20 h / Ambient temperature

3: DMF / toluene / 24 h / Ambient temperature

With potassium hydroxide; oxalyl dichloride; N,N-dimethyl-formamide; In toluene; acetonitrile;
DOI:10.1021/jm00107a037