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134521-16-7

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134521-16-7 Usage

Uses

A metabolite of Letrozole

Check Digit Verification of cas no

The CAS Registry Mumber 134521-16-7 includes 9 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 6 digits, 1,3,4,5,2 and 1 respectively; the second part has 2 digits, 1 and 6 respectively.
Calculate Digit Verification of CAS Registry Number 134521-16:
(8*1)+(7*3)+(6*4)+(5*5)+(4*2)+(3*1)+(2*1)+(1*6)=97
97 % 10 = 7
So 134521-16-7 is a valid CAS Registry Number.
InChI:InChI=1/C15H10N2O/c16-9-11-1-5-13(6-2-11)15(18)14-7-3-12(10-17)4-8-14/h1-8,15,18H

134521-16-7SDS

SAFETY DATA SHEETS

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

Version: 1.0

Creation Date: Aug 18, 2017

Revision Date: Aug 18, 2017

1.Identification

1.1 GHS Product identifier

Product name Bis(4-Cyanophenyl)Methanol

1.2 Other means of identification

Product number -
Other names 4-[(4-cyanophenyl)-hydroxymethyl]benzonitrile

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:134521-16-7 SDS

134521-16-7Synthetic route

4,4'-dicyanobenzophenone
32446-66-5

4,4'-dicyanobenzophenone

4,4'-Methanol-bisbenzonitrile
134521-16-7

4,4'-Methanol-bisbenzonitrile

Conditions
ConditionsYield
With sodium tetrahydroborate In methanol at 0℃; for 0.5h;100%
With aluminium amalgam; ammonia
With sodium tetrahydroborate In methanol
With sodium tetrahydroborate In methanol
Stage #1: 4,4'-dicyanobenzophenone With sodium tetrahydroborate In methanol at 0 - 30℃; for 0.5h;
Stage #2: With methanol; water; acetic acid pH=6.33;
4-cyanobenzaldehyde
105-07-7

4-cyanobenzaldehyde

A

4,4'-dicyanobenzophenone
32446-66-5

4,4'-dicyanobenzophenone

B

4,4'-Methanol-bisbenzonitrile
134521-16-7

4,4'-Methanol-bisbenzonitrile

C

benzonitrile
100-47-0

benzonitrile

Conditions
ConditionsYield
With rhodium(II) acetate; 1,3-bis-(diphenylphosphino)propane In toluene at 200℃; for 5.5h; Temperature;A 10%
B 6%
C 30%
4,4'-diaminobenzophenone
611-98-3

4,4'-diaminobenzophenone

4,4'-Methanol-bisbenzonitrile
134521-16-7

4,4'-Methanol-bisbenzonitrile

Conditions
ConditionsYield
Multi-step reaction with 2 steps
1: sodium nitrite; aqueous hydrochloric acid; water / weiteres Reagens: Natriumcarbonat
2: amalgamated aluminium; ethanolic ammonia
View Scheme
bis(p-methylphenyl)-methanone
611-97-2

bis(p-methylphenyl)-methanone

4,4'-Methanol-bisbenzonitrile
134521-16-7

4,4'-Methanol-bisbenzonitrile

Conditions
ConditionsYield
Multi-step reaction with 2 steps
1.1: dihydrogen peroxide; hydrogen bromide / water; tetrachloromethane / 2 h / 20 °C / Irradiation
1.2: 48 h / 20 - 60 °C
2.1: sodium tetrahydroborate / methanol / 0.5 h / 0 °C
View Scheme
4-bromobenzenecarbonitrile
623-00-7

4-bromobenzenecarbonitrile

4-cyanobenzaldehyde
105-07-7

4-cyanobenzaldehyde

4,4'-Methanol-bisbenzonitrile
134521-16-7

4,4'-Methanol-bisbenzonitrile

Conditions
ConditionsYield
Stage #1: 4-bromobenzenecarbonitrile With TurboGrignard In tetrahydrofuran at -15 - 20℃; for 2.25h;
Stage #2: 4-cyanobenzaldehyde In tetrahydrofuran at -15 - 0℃; for 1.16667h;
0.72 g
4,4'-Methanol-bisbenzonitrile
134521-16-7

4,4'-Methanol-bisbenzonitrile

4,4'-dicyanodiphenylbromomethane
69545-39-7

4,4'-dicyanodiphenylbromomethane

Conditions
ConditionsYield
With hydrogen bromide In water; toluene at 60℃; for 2h; Heating / reflux;92%
4,4'-Methanol-bisbenzonitrile
134521-16-7

4,4'-Methanol-bisbenzonitrile

4-(alpha-chloro-4'-cyanobenzyl)-benzonitrile
112809-57-1

4-(alpha-chloro-4'-cyanobenzyl)-benzonitrile

Conditions
ConditionsYield
With hydrogenchloride; zinc(II) chloride In water; toluene at 40 - 65℃; for 4h;85%
4,4'-Methanol-bisbenzonitrile
134521-16-7

4,4'-Methanol-bisbenzonitrile

4,4'-dicyanobenzophenone
32446-66-5

4,4'-dicyanobenzophenone

Conditions
ConditionsYield
With manganese(IV) oxide In chloroform at 20℃; for 5.5h;85%
With nickel(II) triflate; cyclohexanone; 1,2-bis-(dicyclohexylphosphino)ethane In toluene at 110℃; for 12h; Schlenk technique;59%
4,4'-Methanol-bisbenzonitrile
134521-16-7

4,4'-Methanol-bisbenzonitrile

4,4'-hydroxymethanediyl-bis-benzamidine; dihydrochloride

4,4'-hydroxymethanediyl-bis-benzamidine; dihydrochloride

Conditions
ConditionsYield
With hydrogenchloride; nitrobenzene weiteres Reagens: Aethanol; Behandeln des nach mehreren Tagen isolierten Reaktionsprodukts mit aethanol. Ammoniak;
With hydrogenchloride; chloroform weiteres Reagens: Aethanol; Behandeln des nach mehreren Tagen isolierten Reaktionsprodukts mit aethanol. Ammoniak;
4,4'-Methanol-bisbenzonitrile
134521-16-7

4,4'-Methanol-bisbenzonitrile

C15H10N2O(1-)

C15H10N2O(1-)

Conditions
ConditionsYield
In N,N-dimethyl-formamide at 20℃; Kinetics; electron pulse irradiation;
4,4'-Methanol-bisbenzonitrile
134521-16-7

4,4'-Methanol-bisbenzonitrile

p-toluenesulfonyl chloride
98-59-9

p-toluenesulfonyl chloride

toluene-4-sulfonic acid bis-(4-cyano-phenyl)-methyl ester
935477-95-5

toluene-4-sulfonic acid bis-(4-cyano-phenyl)-methyl ester

Conditions
ConditionsYield
Stage #1: 4,4'-Methanol-bisbenzonitrile; p-toluenesulfonyl chloride In acetone at 0 - 5℃; for 0.0833333h;
Stage #2: With sodium hydroxide In water; acetone at 0 - 5℃; for 1.25h;
4,4'-Methanol-bisbenzonitrile
134521-16-7

4,4'-Methanol-bisbenzonitrile

Reaxys ID: 11723384

Reaxys ID: 11723384

Conditions
ConditionsYield
In toluene
4,4'-Methanol-bisbenzonitrile
134521-16-7

4,4'-Methanol-bisbenzonitrile

trichloroacetonitrile
545-06-2

trichloroacetonitrile

trichloroacetimidate bis-(4-cyanophenyl)methyl ester
1161570-94-0

trichloroacetimidate bis-(4-cyanophenyl)methyl ester

Conditions
ConditionsYield
Stage #1: 4,4'-Methanol-bisbenzonitrile; trichloroacetonitrile In acetone at 10 - 20℃; for 0.166667 - 0.25h;
Stage #2: With sodium hydroxide In water; acetone for 2 - 3h; pH=~ 7.00;
4,4'-Methanol-bisbenzonitrile
134521-16-7

4,4'-Methanol-bisbenzonitrile

methanesulfonyl chloride
124-63-0

methanesulfonyl chloride

bis(4-cyanophenyl)methylmethanesulfonate
134521-17-8

bis(4-cyanophenyl)methylmethanesulfonate

Conditions
ConditionsYield
With triethylamine In dichloromethane at 20℃; for 8h;
4,4'-Methanol-bisbenzonitrile
134521-16-7

4,4'-Methanol-bisbenzonitrile

4-[6-(4-cyanophenyl)-3-(3,5-dichlorophenyl)-2,4-dioxo-3-azabicyclo[3.1.0]hexan-6-yl]benzonitrile

4-[6-(4-cyanophenyl)-3-(3,5-dichlorophenyl)-2,4-dioxo-3-azabicyclo[3.1.0]hexan-6-yl]benzonitrile

Conditions
ConditionsYield
Multi-step reaction with 4 steps
1: manganese(IV) oxide / chloroform / 5.5 h / 20 °C
2: hydrazine hydrate / ethanol / 16 h / 80 °C
3: manganese(IV) oxide / chloroform / 1 h
4: chloroform / 17.5 h / 20 - 60 °C
View Scheme
4,4'-Methanol-bisbenzonitrile
134521-16-7

4,4'-Methanol-bisbenzonitrile

rac-4-[(1S,5S)-6-(4-cyanophenyl)-3-(3,5-dichlorophenyl)-1-methyl-2,4-dioxo-3-azabicyclo[3.1.0]hexan-6-yl]benzonitrile

rac-4-[(1S,5S)-6-(4-cyanophenyl)-3-(3,5-dichlorophenyl)-1-methyl-2,4-dioxo-3-azabicyclo[3.1.0]hexan-6-yl]benzonitrile

Conditions
ConditionsYield
Multi-step reaction with 4 steps
1: manganese(IV) oxide / chloroform / 5.5 h / 20 °C
2: hydrazine hydrate / ethanol / 16 h / 80 °C
3: manganese(IV) oxide / chloroform / 1 h
4: chloroform / 17 h / 60 °C
View Scheme
4,4'-Methanol-bisbenzonitrile
134521-16-7

4,4'-Methanol-bisbenzonitrile

4-[(4-cyanophenyl)methanehydrazonoyl]benzonitrile
64568-34-9

4-[(4-cyanophenyl)methanehydrazonoyl]benzonitrile

Conditions
ConditionsYield
Multi-step reaction with 2 steps
1: manganese(IV) oxide / chloroform / 5.5 h / 20 °C
2: hydrazine hydrate / ethanol / 16 h / 80 °C
View Scheme
4,4'-Methanol-bisbenzonitrile
134521-16-7

4,4'-Methanol-bisbenzonitrile

4-[(4-cyanophenyl)(diazo)methyl]benzonitrile
64568-33-8

4-[(4-cyanophenyl)(diazo)methyl]benzonitrile

Conditions
ConditionsYield
Multi-step reaction with 3 steps
1: manganese(IV) oxide / chloroform / 5.5 h / 20 °C
2: hydrazine hydrate / ethanol / 16 h / 80 °C
3: manganese(IV) oxide / chloroform / 1 h
View Scheme
4,4'-Methanol-bisbenzonitrile
134521-16-7

4,4'-Methanol-bisbenzonitrile

cyclohexanone
108-94-1

cyclohexanone

A

hexahydro-2H-oxepin-2-one
502-44-3

hexahydro-2H-oxepin-2-one

B

4,4'-dicyanobenzophenone
32446-66-5

4,4'-dicyanobenzophenone

Conditions
ConditionsYield
Stage #1: 4,4'-Methanol-bisbenzonitrile; cyclohexanone With N-hydroxyphthalimide; 2,2'-azobis(isobutyronitrile); oxygen In ethyl acetate at 75℃; for 22h; Baeyer-Villiger Ketone Oxidation;
Stage #2: With ammonium cerium (IV) nitrate; 1,1,1,3',3',3'-hexafluoro-propanol In ethyl acetate at 45℃; for 10h; Baeyer-Villiger Ketone Oxidation;

134521-16-7Relevant articles and documents

Shifting Chemical Equilibria in Flow - Efficient Decarbonylation Driven by Annular Flow Regimes

Gutmann, Bernhard,Elsner, Petteri,Glasnov, Toma,Roberge, Dominique M.,Kappe, C. Oliver

supporting information, p. 11557 - 11561 (2016/02/19)

To efficiently drive chemical reactions, it is often necessary to influence an equilibrium by removing one or more components from the reaction space. Such manipulation is straightforward in open systems, for example, by distillation of a volatile product from the reaction mixture. Herein we describe a unique high-temperature/high-pressure gas/liquid continuous-flow process for the rhodium-catalyzed decarbonylation of aldehydes. The carbon monoxide released during the reaction is carried with a stream of an inert gas through the center of the tubing, whereas the liquid feed travels as an annular film along the wall of the channel. As a consequence, carbon monoxide is effectively vaporized from the liquid phase into the gas phase and stripped from the reaction mixture, thus driving the equilibrium to the product and preventing poisoning of the catalyst. This approach enables the catalytic decarbonylation of a variety of aldehydes with unprecedented efficiency with a standard coil-based flow device.

One-pot transformation of methylarenes into aromatic nitriles with inorganic metal-free reagents

Kawagoe, Yuhsuke,Moriyama, Katsuhiko,Togo, Hideo

, p. 4115 - 4122 (2014/07/08)

Various methylarenes were transformed into the corresponding aromatic nitriles in good to moderate yields by the treatment with aq. HBr and aq. H 2O2, followed by reaction with molecular iodine and aq. ammonia in a one-pot procedure. The present reaction is a useful, practical, transition-metal-free, and organic-reagent-free method for the preparation of aromatic nitriles from methylarenes. Various methylarenes were treated with aq. HBr and aq. H2O2 under warming conditions and/or irradiation conditions, followed by the reaction with molecular iodine and aq. ammonia, to provide the corresponding aromatic nitriles, in a one-pot procedure. The present reaction was carried out under metal-free and organic-reagent-free conditions. Copyright

Observation of intramolecular dimer radical anion of 1,1-diarylmethanols bearing electron withdrawing groups at room temperature

Ichinose, Nobuyuki,Hobo, Junpei,Tojo, Sachiko,Majima, Tetsuro

, p. 97 - 102 (2007/10/03)

Transient absorption measurement of radical anions of 1,1-diarylmethanols bearing electron-withdrawing groups in dimethyl-formamide at room temperature has revealed that symmetric compounds form intramolecular dimer radical anions as an intermediate of th

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