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Benzene, 1-(1,1-dimethylethyl)-3-fluoro, also known as 1-(1,1-dimethylethyl)-3-fluorobenzene or 1,1,1-trimethyl-3-fluorobenzene, is an organic compound with the chemical formula C9H11F. It is a colorless liquid with a molecular weight of 140.19 g/mol. Benzene, 1-(1,1-dimethylethyl)-3-fluoro- is characterized by a benzene ring with a fluorine atom at the 3-position and a tert-butyl group (1,1-dimethylethyl) at the 1-position. It is used as an intermediate in the synthesis of various pharmaceuticals, agrochemicals, and other specialty chemicals. Due to its potential reactivity and the presence of fluorine, it is important to handle Benzene, 1-(1,1-dimethylethyl)-3-fluoro- with care, following appropriate safety guidelines.

701-26-8

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701-26-8 Usage

Check Digit Verification of cas no

The CAS Registry Mumber 701-26-8 includes 6 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 3 digits, 7,0 and 1 respectively; the second part has 2 digits, 2 and 6 respectively.
Calculate Digit Verification of CAS Registry Number 701-26:
(5*7)+(4*0)+(3*1)+(2*2)+(1*6)=48
48 % 10 = 8
So 701-26-8 is a valid CAS Registry Number.

701-26-8SDS

SAFETY DATA SHEETS

According to Globally Harmonized System of Classification and Labelling of Chemicals (GHS) - Sixth revised edition

Version: 1.0

Creation Date: Aug 15, 2017

Revision Date: Aug 15, 2017

1.Identification

1.1 GHS Product identifier

Product name 1-tert-butyl-3-fluorobenzene

1.2 Other means of identification

Product number -
Other names 1-Fluor-3-t-butyl-benzol

1.3 Recommended use of the chemical and restrictions on use

Identified uses For industry use only.
Uses advised against no data available

1.4 Supplier's details

1.5 Emergency phone number

Emergency phone number -
Service hours Monday to Friday, 9am-5pm (Standard time zone: UTC/GMT +8 hours).

More Details:701-26-8 SDS

701-26-8Relevant academic research and scientific papers

Expanding the Balz–Schiemann Reaction: Organotrifluoroborates Serve as Competent Sources of Fluoride Ion for Fluoro-Dediazoniation

Mohy El Dine, Tharwat,Sadek, Omar,Gras, Emmanuel,Perrin, David M.

supporting information, p. 14933 - 14937 (2018/09/25)

The Balz–Schiemann reaction endures as a method for the preparation of (hetero)aryl fluorides yet is eschewed due to the need for harsh conditions or high temperatures along with the need to isolate potentially explosive diazonium salts. In a departure from these conditions, we show that various organotrifluoroborates (RBF3?s) may serve as fluoride ion sources for solution-phase fluoro-dediazoniation in organic solvents under mild conditions. This methodology was successfully extended to a one-pot process obviating aryl diazonium salt isolation. Sterically hindered (hetero)anilines are fluorinated under unprecedentedly mild conditions in good-to-excellent yields. Taken together, this work expands the repertoire of RBF3?s to act as fluorine ion sources in an update to the classic Balz–Schiemann reaction.

AMINOBENZISOXAZOLE COMPOUNDS AS AGONISTS OF A7-NICOTINIC ACETYLCHOLINE RECEPTORS

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Paragraph 00225, (2017/01/31)

The present invention relates to novel aminobenzisoxazole compounds, and pharmaceutical compositions of the same, that are suitable as agonists or partial agonists of ot7-nAChR, and methods of preparing these compounds and compositions, and the use of these compounds and compositions in methods of maintaining, treating and/or improving cognitive function. In particular, methods of administering the compound or composition to a patient in need thereof, for example a patient with a cognitive deficiency and/or a desire to enhance cognitive function, that may derive a benefit therefrom.

Studying regioisomer formation in the pd-catalyzed fluorination of aryl triflates by deuterium labeling

Milner, Phillip J.,Kinzel, Tom,Zhang, Yong,Buchwald, Stephen L.

supporting information, p. 15757 - 15766 (2015/02/02)

Isotopic labeling has been used to determine that a portion of the desired product in the Pd-catalyzed fluorination of electron-rich, non-ortho-substituted aryl triflates results from direct C-F cross-coupling. In some cases, formation of a Pd-aryne intermediate is responsible for producing undesired regioisomers. The generation of the Pd-aryne intermediate occurs primarily via ortho-deprotonation of a L·Pd(Ar)OTf (L = biaryl monophosphine) species by CsF and thus competes directly with the transmetalation step of the catalytic cycle. Deuterium labeling studies were conducted with a variety of aryl triflates.

MODULATORS OF CCR9 RECEPTOR AND METHODS OF USE THEREOF

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Page/Page column 41-42, (2010/03/02)

Provided are compounds that are modulators of CCR9 receptor activity, compositions containing the compounds and methods of use of the compounds and compositions. In certain embodiments, provided are methods for treating or ameliorating diseases associated

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