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Identification

  • Product Name:Benzenemethanol, a-phenyl-3-(trifluoromethyl)-

  • CAS Number: 728-80-3

  • EINECS:-0

  • Molecular Weight:252.236

  • Molecular Formula: C14H11F3O

  • HS Code:29062990

  • Mol File:728-80-3.mol

Synonyms:Benzhydrol,3-(trifluoromethyl)- (7CI,8CI);3-(Trifluoromethyl)benzhydrol;[3-(Trifluoromethyl)phenyl]phenylmethanol;

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Safety information and MSDS view more

  • Pictogram(s):IrritantXi

  • Hazard Codes:Xi,F

  • Signal Word:Warning

  • Hazard Statement:H315 Causes skin irritationH319 Causes serious eye irritation H335 May cause respiratory irritation

  • First-aid measures: General adviceConsult a physician. Show this safety data sheet to the doctor in attendance.If inhaled If breathed in, move person into fresh air. If not breathing, give artificial respiration. Consult a physician. In case of skin contact Wash off with soap and plenty of water. Consult a physician. In case of eye contact Rinse thoroughly with plenty of water for at least 15 minutes and consult a physician. If swallowed Never give anything by mouth to an unconscious person. Rinse mouth with water. Consult a physician.

  • Fire-fighting measures: Suitable extinguishing media Use water spray, alcohol-resistant foam, dry chemical or carbon dioxide. Wear self-contained breathing apparatus for firefighting if necessary.

  • Accidental release measures: Use personal protective equipment. Avoid dust formation. Avoid breathing vapours, mist or gas. Ensure adequate ventilation. Evacuate personnel to safe areas. Avoid breathing dust. For personal protection see section 8. Prevent further leakage or spillage if safe to do so. Do not let product enter drains. Discharge into the environment must be avoided. Pick up and arrange disposal. Sweep up and shovel. Keep in suitable, closed containers for disposal.

  • Handling and storage: Avoid contact with skin and eyes. Avoid formation of dust and aerosols. Avoid exposure - obtain special instructions before use.Provide appropriate exhaust ventilation at places where dust is formed. For precautions see section 2.2. Store in cool place. Keep container tightly closed in a dry and well-ventilated place.

  • Exposure controls/personal protection:Occupational Exposure limit valuesBiological limit values Handle in accordance with good industrial hygiene and safety practice. Wash hands before breaks and at the end of workday. Eye/face protection Safety glasses with side-shields conforming to EN166. Use equipment for eye protection tested and approved under appropriate government standards such as NIOSH (US) or EN 166(EU). Skin protection Wear impervious clothing. The type of protective equipment must be selected according to the concentration and amount of the dangerous substance at the specific workplace. Handle with gloves. Gloves must be inspected prior to use. Use proper glove removal technique(without touching glove's outer surface) to avoid skin contact with this product. Dispose of contaminated gloves after use in accordance with applicable laws and good laboratory practices. Wash and dry hands. The selected protective gloves have to satisfy the specifications of EU Directive 89/686/EEC and the standard EN 374 derived from it. Respiratory protection Wear dust mask when handling large quantities. Thermal hazards

Supplier and reference price

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  • Manufacture/Brand:TRC
  • Product Description:3-(Trifluoromethyl)benzhydrol
  • Packaging:50mg
  • Price:$ 45
  • Delivery:In stock
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  • Manufacture/Brand:TRC
  • Product Description:3-(Trifluoromethyl)benzhydrol
  • Packaging:100mg
  • Price:$ 60
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  • Manufacture/Brand:SynQuest Laboratories
  • Product Description:3-(Trifluoromethyl)benzhydrol 97%
  • Packaging:100 g
  • Price:$ 445
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  • Manufacture/Brand:SynQuest Laboratories
  • Product Description:3-(Trifluoromethyl)benzhydrol 97%
  • Packaging:5 g
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  • Product Description:3-(Trifluoromethyl)benzhydrol 97%
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  • Manufacture/Brand:Matrix Scientific
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  • Manufacture/Brand:Frontier Specialty Chemicals
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Relevant articles and documentsAll total 15 Articles be found

Catalytic Aldehyde and Alcohol Arylation Reactions Facilitated by a 1,5-Diaza-3,7-diphosphacyclooctane Ligand

Isbrandt, Eric S.,Nasim, Amrah,Newman, Stephen G.,Zhao, Karen

supporting information, p. 14646 - 14656 (2021/09/18)

We report a catalytic method to access secondary alcohols by the coupling of aryl iodides. Either aldehydes or alcohols can be used as reaction partners, making the transformation reductive or redox-neutral, respectively. The reaction is mediated by a Ni catalyst and a 1,5-diaza-3,7-diphosphacyclooctane. This P2N2ligand, which has previously been unrecognized in cross-coupling and related reactions, was found to avoid deleterious aryl halide reduction pathways that dominate with more traditional phosphines and NHCs. An interrupted carbonyl-Heck type mechanism is proposed to be operative, with a key 1,2-insertion step forging the new C-C bond and forming a nickel alkoxide that may be turned over by an alcohol reductant. The same catalyst was also found to enable synthesis of ketone products from either aldehydes or alcohols, demonstrating control over the oxidation state of both the starting materials and products.

Diaryl hydroxylamines as pan or dual inhibitors of indoleamine 2,3-dioxygenase-1, indoleamine 2,3-dioxygenase-2 and tryptophan dioxygenase

Winters, Maria,DuHadaway, James B.,Pham, Khoa N.,Lewis-Ballester, Ariel,Badir, Shorouk,Wai, Jenny,Sheikh, Eesha,Yeh, Syun-Ru,Prendergast, George C.,Muller, Alexander J.,Malachowski, William P.

supporting information, p. 455 - 464 (2018/11/25)

Tryptophan (Trp) catabolizing enzymes play an important and complex role in the development of cancer. Significant evidence implicates them in a range of inflammatory and immunosuppressive activities. Whereas inhibitors of indoleamine 2,3-dioxygenase-1 (IDO1) have been reported and analyzed in the clinic, fewer inhibitors have been described for tryptophan dioxygenase (TDO) and indoleamine 2,3-dioxygenase-2 (IDO2) which also have been implicated more recently in cancer, inflammation and immune control. Consequently the development of dual or pan inhibitors of these Trp catabolizing enzymes may represent a therapeutically important area of research. This is the first report to describe the development of dual and pan inhibitors of IDO1, TDO and IDO2.

Grignard Reagents on a Tab: Direct Magnesium Insertion under Flow Conditions

Huck, Lena,De La Hoz, Antonio,Díaz-Ortiz, Angel,Alcázar, Jesus

supporting information, p. 3747 - 3750 (2017/07/26)

An on-demand preparation of organomagnesium reagents is presented using a new flow protocol. The risks associated with the activation of magnesium are circumvented by a new on-column initiation procedure. Required amounts of solutions with a precise titration were obtained. Telescoped flow or batch reactions allow access to a diverse set of functional groups.

Structure-activity relationships of diphenylpiperazine N-type calcium channel inhibitors

Pajouhesh, Hassan,Feng, Zhong-Ping,Ding, Yanbing,Zhang, Lingyun,Pajouhesh, Hossein,Morrison, Jerrie-Lynn,Belardetti, Francesco,Tringham, Elizabeth,Simonson, Eric,Vanderah, Todd W.,Porreca, Frank,Zamponi, Gerald W.,Mitscher, Lester A.,Snutch, Terrance P.

scheme or table, p. 1378 - 1383 (2010/07/06)

A novel series of compounds derived from the previously reported N-type calcium channel blocker NP118809 (1-(4-benzhydrylpiperazin-1-yl)-3,3-diphenylpropan-1-one) is described. Extensive SAR studies resulted in compounds with IC50 values in the range of 10-150 nM and selectivity over the L-type channels up to nearly 1200-fold. Orally administered compounds 5 and 21 exhibited both anti-allodynic and anti-hyperalgesic activity in the spinal nerve ligation model of neuropathic pain.

Glycine transporter-1 inhibitors

-

Page/Page column 27, (2008/06/13)

The present invention provides compounds that are glycine transporter 1 (hereinafter referred to as GlyT-1) inhibitors and are therefore useful for the treatment of diseases treatable by inhibition of GlyT1 such as cognitive disorders associated with Schizophrenia, ADHD (attention deficit hyperactivity disorder), MCI (mild cognitive impairment), and the like. Also provided are pharmaceutical compositions containing such compounds and processes for preparing such compounds.

Process route upstream and downstream products

Process route

3-(trifluoromethyl)benzophenone
728-81-4

3-(trifluoromethyl)benzophenone

3-(trifluoromethyl)benzhydrol
728-80-3

3-(trifluoromethyl)benzhydrol

Conditions
Conditions Yield
3-(trifluoromethyl)benzophenone; With (R)-((4,4’-bi-1,3-benzodioxole)-5,5’-diyl)bis(bis(3,5-di-t-butyl-4-methoxyphenyl))phosphine; polymethylhydrosiloxane; copper(l) chloride; sodium t-butanolate; In toluene; at 0 ℃; for 0.5h; Inert atmosphere;
With sodium hydroxide; water; In ethyl acetate; toluene; for 1h; Inert atmosphere;
99%
With sodium hydroxide; zinc; In ethanol; for 2h; Heating;
With lithium aluminium tetrahydride;
With sodium tetrahydroborate; In ethanol; Yield given;
With sodium tetrahydroborate;
3-Trifluoromethylbenzaldehyde
454-89-7

3-Trifluoromethylbenzaldehyde

phenylmagnesium bromide
100-58-3

phenylmagnesium bromide

3-(trifluoromethyl)benzhydrol
728-80-3

3-(trifluoromethyl)benzhydrol

Conditions
Conditions Yield
In tetrahydrofuran; at 20 ℃; Inert atmosphere;
77%
In diethyl ether; Reflux;
3-bromo-1-trifluoromethylbenzene
401-78-5

3-bromo-1-trifluoromethylbenzene

benzaldehyde
100-52-7

benzaldehyde

3-(trifluoromethyl)benzhydrol
728-80-3

3-(trifluoromethyl)benzhydrol

Conditions
Conditions Yield
3-bromo-1-trifluoromethylbenzene; With magnesium; lithium chloride; In tetrahydrofuran; at 50 ℃; for 0.125h; Flow reactor;
benzaldehyde; In tetrahydrofuran; at 20 ℃; for 0.333333h; Flow reactor;
97%
With [2,2]bipyridinyl; Fe/Cr/Ni; In N,N-dimethyl-formamide; Electrolysis;
50%
m-trifluoromethylphenyl iodide
401-81-0

m-trifluoromethylphenyl iodide

benzyl alcohol
100-51-6,185532-71-2

benzyl alcohol

3-(trifluoromethyl)benzhydrol
728-80-3

3-(trifluoromethyl)benzhydrol

Conditions
Conditions Yield
With 2,2,6,6-tetramethyl-piperidine; NiBr2*diglyme; 1,5-bis(p-benzotrifluoride)-3,7-bis(cyclohexyl)-1,5,3,7-diazadiphosphacyclooctane; In toluene; at 75 ℃; for 16h; Reagent/catalyst;
64 %Spectr.
3-(trifluoromethyl)benzophenone
728-81-4

3-(trifluoromethyl)benzophenone

3-(trifluoromethyl)benzhydrol
728-80-3

3-(trifluoromethyl)benzhydrol

1-Phenyl-1-(3-trifluoromethyl-phenyl)-pentan-1-ol

1-Phenyl-1-(3-trifluoromethyl-phenyl)-pentan-1-ol

Conditions
Conditions Yield
With n-butyl magnesium bromide; In diethyl ether; at 0 ℃; Yield given. Yields of byproduct given;
benzaldehyde
100-52-7

benzaldehyde

3-chlorotrifluoromethylbenzene
98-15-7

3-chlorotrifluoromethylbenzene

3-(trifluoromethyl)benzhydrol
728-80-3

3-(trifluoromethyl)benzhydrol

Conditions
Conditions Yield
(2,2'-bipyridine)nickel(II) dibromide; In N,N-dimethyl-formamide; Electrochemical reaction; stainless steel (Fe/Cr/Ni = 72/18/10) anode;
52%
3-(trifluoromethyl)phenylmagnesium bromide
402-26-6

3-(trifluoromethyl)phenylmagnesium bromide

benzaldehyde
100-52-7

benzaldehyde

3-(trifluoromethyl)benzhydrol
728-80-3

3-(trifluoromethyl)benzhydrol

Conditions
Conditions Yield
In diethyl ether;
n-butyllithium
109-72-8,29786-93-4

n-butyllithium

3-(trifluoromethyl)benzophenone
728-81-4

3-(trifluoromethyl)benzophenone

3-(trifluoromethyl)benzhydrol
728-80-3

3-(trifluoromethyl)benzhydrol

1-Phenyl-1-(3-trifluoromethyl-phenyl)-pentan-1-ol

1-Phenyl-1-(3-trifluoromethyl-phenyl)-pentan-1-ol

Conditions
Conditions Yield
In diethyl ether; at 0 ℃; Yield given. Yields of byproduct given;
3-(trifluoromethyl)benzoic acid
454-92-2

3-(trifluoromethyl)benzoic acid

3-(trifluoromethyl)benzhydrol
728-80-3

3-(trifluoromethyl)benzhydrol

Conditions
Conditions Yield
Multi-step reaction with 3 steps
1: SOCl2
2: FeCl3 / 3 h / 20 - 40 °C
3: Zn, NaOH / aq. ethanol / 2 h / Heating
With sodium hydroxide; thionyl chloride; iron(III) chloride; zinc; In ethanol;
3-(Trifluoromethyl)benzoyl chloride
2251-65-2

3-(Trifluoromethyl)benzoyl chloride

3-(trifluoromethyl)benzhydrol
728-80-3

3-(trifluoromethyl)benzhydrol

Conditions
Conditions Yield
Multi-step reaction with 2 steps
1: FeCl3 / 3 h / 20 - 40 °C
2: Zn, NaOH / aq. ethanol / 2 h / Heating
With sodium hydroxide; iron(III) chloride; zinc; In ethanol;

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