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High Quality 99% Letrozole 112809-51-5 GMP Manufacturer
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112809-51-5 Usage

Description

Letrozole (trade name: Femara) is an orally active nonsteroidal aromatase inhibitor. As a competitive inhibitor of the aromatase, Letrozole inhibits the conversion of androgens to estrogen (estrogen stimulates breast tissues and breast cancer reoccurrence) and gonadal steroidogenesis. It can be used for the treatment of breast cancer that is hormonally-responsive or has an unknown receptor status in postmenopausal women. Besides this, Letrozole also has some off-label use such as ovarian stimulation, pretreatment of termination of pregnancy, treatment of gynecomastia, treatment of endometriosis, and promoting spermatogenesis for male patients of nonobstructive azoospermia.

Brand name

Femara (Novar tis).

Therapeutic Function

Antineoplastic

Mechanism of action

Inhibition of arom atase by letrazole is competitive and highly specific , with no effect on enzymes that are responsible for the production of glucocorticosteroids and mineralocorticosteroids. This agent is significantly more effective than tamoxifen in treating horm one-dependent cancer.

Manufacturing Process

From 4-bromomethylbenzonitrile and 1H-[1,2,4]triazole was obtained 4- [1,2,4]triazol-1-ylmethylbenzonitrile. Treatment of that with strong base (tertBuOK) results in formation of the anion by removal of the relatively acidic benzyl proton. This anion was condensed with p-fluorobenzinitrile to give benzhydryl tetrazole (Letrozole)

Chemical Properties

white to light yellow crystal

Clinical Use

Femara was launched in France and the UK for second-line treatment of advanced breast cancer. Letrazole can be synthesized in two steps from 4- bromomethyl-benzonitrile with 1,2,4-triazole and is a third generation aromatase inhibitor. It is a highly specific inhibitor of P450arom which prevents the conversion of androstenedione to estrone. The reduction of plasma estrogen was immediate and long lasting. This is accomplished with no inhibition of other steroid biosynthesis making it the most selective aromatase inhibitor tested. Letrazole has remarkable antitumor activity, is well tolerated and has no toxic side effects. It is 10,000 times more potent than aminoglutethimide, in vivo, the first well established aromatase inhibitor.

Pharmacokinetics

Absorption of oral letrozole is rapid and complete and steady state is achieved in 2–6 weeks with administration of letrozole 2.5mg once daily. The major route of elimination of letrozole is via metabolism to a pharmacologically inactive carbinol metabolite. The cytochrome P450 (CYP) 3A4 and CYP2A6 isozymes metabolize letrozole to a pharmacologically inactive carbinol metabolite. Renal excretion of a glucuronide conjugate of the carbinol metabolite of letrozole represents the major route of drug clearance.

References

https://www.drugbank.ca/drugs/DB01006 https://en.wikipedia.org/wiki/Letrozole

General Description

Letrozole, 4,4'-(1H-1,2,4-triazol-1-ylmethylene)dibenzonitrile (Femara), is used for most of thesame indications as anastrozole. It reduces concentrations ofestrogens by 75% to 95%, with maximal suppressionachieved within 2 to 3 days. Letrozole is specific for aromataseinhibition, with no additional effects on adrenal corticoidbiosynthesis. CYPs 3A4 and 2A6 are involved in themetabolism of letrozole to the major carbinol metabolite,which is inactive. The loss of the triazole ring, which is involvedin coordination of the heme iron, would explain theloss of activity. Letrozole strongly inhibits CYP2A6 invitro, with moderate inhibition of CYP2C19. The effect ofthis in vitro inhibition on the pharmacokinetics of coadministereddrugs is unknown. Tamoxifen reduces the levels ofletrozole significantly if they are used together, so combinationtreatment with these agents is not recommended.

Indications and uses

Letrozole is part of a new generation of highly selective aromatase inhibitors and is an artificially synthesized benzotriazole derivative. Letrozole inhibits aromatase to lower estrogen levels, thus preventing estrogen from stimulating tumor growth. Its in vivo activity is 150-250 times stronger than that of first generation aromatase inhibitor Amarante. As it is highly selective, it will not impact glucocorticoid, mineralocorticoid and thyroid functions; even at high dosages, it will not have any inhibiting effects on adrenal corticosteroid secretion, giving it a high treatment index. Letrozole has no latent toxicity towards any bodily systems and target organs, has no mutagenicity and carcinogenic effects, has minimal toxic side effects, is well-tolerated, and has stronger anticancer effects than other aromatase inhibitors and antiestrogen drugs. Letrozole is suitable for advanced breast cancer postmenopausal patients who have not responded to estrogen-suppressing treatment and for early breast cancer treatment. It is used to treat postmenopausal patients with advanced breast cancer and serves as a second-line treatment to follow unsuccessful antiestrogen treatment. Compared to the current standard Tamoxifen treatment, Letrozole can better prevent the risk of breast cancer recurrence.

Side effects

Randomized grouping studies have shown that daily oral ingestion of 2.5mg Letrozole leads to a 33% rate of drug-related negative reactions, a percentage much lower than AG group’s 46%. Negative reactions to Letrozole are mostly mild or moderate, consisting mostly of nausea (2-9%), headache (0-7%), bone pain (4-10%), hot flashes (0-9%) and weight gain (2-8%). Other uncommon side effects include constipation, diarrhea, itching, rash, joint pain, chest pain, abdominal pain, fatigue, insomnia, dizziness, edema, high blood pressure, arrhythmia, thrombosis, dyspnea, vaginal bleeding, etc.

Originator

Novartis (Switzerland)

Uses

A nonsteroidal aromatase inhibitor structurally related to Fadrozole. Antineoplastic
InChI:InChI=1/C17H11N5/c18-9-13-1-5-15(6-2-13)17(22-12-20-11-21-22)16-7-3-14(10-19)4-8-16/h1-8,11-12,17H

112809-51-5 Well-known Company Product Price

Brand (Code)Product description CAS number Packaging Price Detail
Sigma-Aldrich (PHR1540)  Letrozole  pharmaceutical secondary standard; traceable to USP, PhEur 112809-51-5 PHR1540-1G 862.41CNY Detail
Sigma-Aldrich (Y0000685)  Letrozole  European Pharmacopoeia (EP) Reference Standard 112809-51-5 Y0000685 1,880.19CNY Detail
USP (1356971)  Letrozole  United States Pharmacopeia (USP) Reference Standard 112809-51-5 1356971-200MG 4,588.74CNY Detail

112809-51-5SDS

SAFETY DATA SHEETS

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

Version: 1.0

Creation Date: Aug 17, 2017

Revision Date: Aug 17, 2017

1.Identification

1.1 GHS Product identifier

Product name letrozole

1.2 Other means of identification

Product number -
Other names 4-[(4-cyanophenyl)-(1,2,4-triazol-1-yl)methyl]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:112809-51-5 SDS

112809-51-5Synthetic route

4-(1H-1,2,4-triazol-1-ylmethyl)benzonitrile hydrochloride
112809-26-4

4-(1H-1,2,4-triazol-1-ylmethyl)benzonitrile hydrochloride

4-fluorobenzonitrile
1194-02-1

4-fluorobenzonitrile

letrozol
112809-51-5

letrozol

Conditions
ConditionsYield
Stage #1: 4-(1H-1,2,4-triazol-1-ylmethyl)benzonitrile hydrochloride With potassium tert-butylate In N,N-dimethyl-formamide at -25 - -20℃; for 1.08333h; Inert atmosphere;
Stage #2: 4-fluorobenzonitrile In N,N-dimethyl-formamide at -25 - -20℃; for 1.08333h;
98.6%
Stage #1: 4-(1H-1,2,4-triazol-1-ylmethyl)benzonitrile hydrochloride With potassium tert-butylate In N,N-dimethyl-formamide at -25 - -20℃; for 1.08333h;
Stage #2: 4-fluorobenzonitrile In N,N-dimethyl-formamide at -25 - -20℃; for 1.08333h;
Stage #3: With hydrogenchloride In water; N,N-dimethyl-formamide at -20 - 0℃; for 0.5h; pH=6.0 - 6.5; Product distribution / selectivity;
55%
1,2,4-Triazole
288-88-0

1,2,4-Triazole

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

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

letrozol
112809-51-5

letrozol

Conditions
ConditionsYield
Stage #1: 1,2,4-Triazole With tetrabutylammomium bromide; potassium carbonate In water; 4-methyl-2-pentanone for 2h;
Stage #2: toluene-4-sulfonic acid bis-(4-cyano-phenyl)-methyl ester In water; 4-methyl-2-pentanone at 20 - 30℃; for 48h;
Stage #3: With hydrogenchloride In water; 4-methyl-2-pentanone for 1h;
97.42%
potassium cyanide

potassium cyanide

1-(bis(4-bromophenyl)methyl)-1H-1,2,4-triazole

1-(bis(4-bromophenyl)methyl)-1H-1,2,4-triazole

letrozol
112809-51-5

letrozol

Conditions
ConditionsYield
Stage #1: potassium cyanide With acetic acid In ethylene glycol Sealed tube;
Stage #2: 1-(bis(4-bromophenyl)methyl)-1H-1,2,4-triazole With P(t-Bu)3 Palladacycle Gen. 3; potassium acetate In 1,4-dioxane; water at 60℃; for 16h; Concentration; Sealed tube;
97%
4-((4-cyanophenyl)(1H-1,2,4-triazol-1-yl)methyl)benzamide

4-((4-cyanophenyl)(1H-1,2,4-triazol-1-yl)methyl)benzamide

letrozol
112809-51-5

letrozol

Conditions
ConditionsYield
With trifluoroacetic anhydride In 1,4-dioxane at 0 - 20℃; for 1h;90%
4-amino-1,2,4-triazole
584-13-4

4-amino-1,2,4-triazole

4,4'-dicyanodiphenylbromomethane
69545-39-7

4,4'-dicyanodiphenylbromomethane

letrozol
112809-51-5

letrozol

Conditions
ConditionsYield
Stage #1: 4-amino-1,2,4-triazole; 4,4'-dicyanodiphenylbromomethane In acetonitrile for 24h; Reflux;
Stage #2: With hydrogenchloride; sodium nitrite In water; acetonitrile at 0 - 5℃; for 6h; Solvent; Time;
88.7%
potassiumhexacyanoferrate(II) trihydrate

potassiumhexacyanoferrate(II) trihydrate

1-(bis(4-bromophenyl)methyl)-1H-1,2,4-triazole

1-(bis(4-bromophenyl)methyl)-1H-1,2,4-triazole

letrozol
112809-51-5

letrozol

Conditions
ConditionsYield
With sodium carbonate In water; N,N-dimethyl-formamide at 120℃; for 24h;87%
zinc cyanide

zinc cyanide

1-(bis(4-bromophenyl)methyl)-1H-1,2,4-triazole

1-(bis(4-bromophenyl)methyl)-1H-1,2,4-triazole

letrozol
112809-51-5

letrozol

Conditions
ConditionsYield
With 1,1'-bis-(diphenylphosphino)ferrocene; water; bis(dibenzylideneacetone)-palladium(0) In N,N-dimethyl-formamide at 120℃; for 15h; Inert atmosphere;86%
4-fluorobenzonitrile
1194-02-1

4-fluorobenzonitrile

sodium triazole
41253-21-8

sodium triazole

4-cyanobenzyl bromide
17201-43-3

4-cyanobenzyl bromide

letrozol
112809-51-5

letrozol

Conditions
ConditionsYield
Stage #1: sodium triazole; 4-cyanobenzyl bromide With potassium tert-butylate In N,N-dimethyl-formamide at -5 - 5℃; for 2.5h;
Stage #2: 4-fluorobenzonitrile In N,N-dimethyl-formamide at -5 - 5℃; for 2.5h; Product distribution / selectivity;
85%
Stage #1: sodium triazole; 4-cyanobenzyl bromide In N,N-dimethyl-formamide at -10 - 0℃; for 1h;
Stage #2: 4-fluorobenzonitrile With sodium hexamethyldisilazane In tetrahydrofuran; N,N-dimethyl-formamide at -10 - -5℃; Product distribution / selectivity;
Stage #1: sodium triazole; 4-cyanobenzyl bromide In ISOPROPYLAMIDE at -15 - 0℃; for 2.5h;
Stage #2: 4-fluorobenzonitrile With sodium hexamethyldisilazane In tetrahydrofuran; ISOPROPYLAMIDE at -8 - 0℃; for 1h; Product distribution / selectivity;
C40H28ClN10Ru(1+)*BF4(1-)

C40H28ClN10Ru(1+)*BF4(1-)

triphenylphosphine
603-35-0

triphenylphosphine

A

C41H32ClN5PRu(1+)*BF4(1-)

C41H32ClN5PRu(1+)*BF4(1-)

B

letrozol
112809-51-5

letrozol

Conditions
ConditionsYield
In dichloromethane at 20℃; for 48h;A 75%
B n/a
1,2,4-Triazole
288-88-0

1,2,4-Triazole

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

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

letrozol
112809-51-5

letrozol

Conditions
ConditionsYield
With potassium carbonate In N,N-dimethyl-formamide; toluene at 60 - 80℃; for 4h;74.4%
4-fluorobenzonitrile
1194-02-1

4-fluorobenzonitrile

letrozol
112809-51-5

letrozol

Conditions
ConditionsYield
Stage #1: 4-((1H-1,2,4-triazole-1-yl)methyl)benzonitrile With potassium tert-butylate In N,N-dimethyl-formamide at -5 - 0℃; for 2h;
Stage #2: 4-fluorobenzonitrile In N,N-dimethyl-formamide at 0 - 10℃; for 0.25h; Product distribution / selectivity;
73%
Stage #1: 4-((1H-1,2,4-triazole-1-yl)methyl)benzonitrile With lithium hexamethyldisilazane In tetrahydrofuran at -30 - -25℃; for 0.666667h;
Stage #2: 4-fluorobenzonitrile In tetrahydrofuran at -20 - -15℃; for 1.25h; Product distribution / selectivity;
1,3,5-Triazine
290-87-9

1,3,5-Triazine

2-(propan-2-ylidine)-1-[di-(4-cyanophenyl)methyl]hydrazine
1280504-38-2

2-(propan-2-ylidine)-1-[di-(4-cyanophenyl)methyl]hydrazine

letrozol
112809-51-5

letrozol

Conditions
ConditionsYield
Stage #1: 2-(propan-2-ylidine)-1-[di-(4-cyanophenyl)methyl]hydrazine With hydrogenchloride In methanol at 20℃;
Stage #2: 1,3,5-Triazine In methanol Reflux;
70.7%
1,2,4-Triazole
288-88-0

1,2,4-Triazole

4,4'-dicyanodiphenylbromomethane
69545-39-7

4,4'-dicyanodiphenylbromomethane

A

4-[α-(4-cyano-phenyl)-1-(1,3,4-triazol-1-yl)-methyl]-benzonitrile
112809-52-6

4-[α-(4-cyano-phenyl)-1-(1,3,4-triazol-1-yl)-methyl]-benzonitrile

B

letrozol
112809-51-5

letrozol

Conditions
ConditionsYield
With potassium carbonate In N,N-dimethyl-formamide; toluene at 60 - 80℃; for 1.5h; Product distribution / selectivity;A 3.5%
B 70.5%
zinc(II) cyanide
557-21-1

zinc(II) cyanide

1--1H-1,2,4-triazole
102994-04-7

1--1H-1,2,4-triazole

letrozol
112809-51-5

letrozol

Conditions
ConditionsYield
With dmap; 1,1'-bis-(diphenylphosphino)ferrocene; nickel(II) chloride hexahydrate; zinc In acetonitrile at 80℃; for 4h; Inert atmosphere; Sealed tube;68%
With dmap; 1,1'-bis-(diphenylphosphino)ferrocene; nickel(II) chloride hexahydrate; zinc In acetonitrile at 80℃; for 4h; Inert atmosphere; Glovebox; Sealed tube;68%
4-((1H-1,2,4-triazole-1-yl)methyl)benzonitrile
112809-25-3

4-((1H-1,2,4-triazole-1-yl)methyl)benzonitrile

2-(4-fluorobenzene)-1,3,4-oxadiazole
595567-05-8

2-(4-fluorobenzene)-1,3,4-oxadiazole

letrozol
112809-51-5

letrozol

Conditions
ConditionsYield
Stage #1: 4-((1H-1,2,4-triazole-1-yl)methyl)benzonitrile With potassium tert-butylate In N,N-dimethyl-formamide at -5℃; Inert atmosphere;
Stage #2: 2-(4-fluorobenzene)-1,3,4-oxadiazole In N,N-dimethyl-formamide at -5℃; for 7.5h; Inert atmosphere;
64%
4-[1-(1,2,4-triazol-1-yl)methyl] benzonitrile

4-[1-(1,2,4-triazol-1-yl)methyl] benzonitrile

4-fluorobenzonitrile
1194-02-1

4-fluorobenzonitrile

letrozol
112809-51-5

letrozol

Conditions
ConditionsYield
Stage #1: 4-[1-(1,2,4-triazol-1-yl)methyl] benzonitrile; 4-fluorobenzonitrile With potassium tert-butylate In DMF (N,N-dimethyl-formamide) at -10 - -5℃; for 4h;
Stage #2: With hydrogenchloride In DMF (N,N-dimethyl-formamide); water pH=7.5 - 8.0;
58%
1,2,4-Triazole
288-88-0

1,2,4-Triazole

4-(bromomethyl)benzaldehyde
51359-78-5

4-(bromomethyl)benzaldehyde

4-chlorobenzaldehyde
104-88-1

4-chlorobenzaldehyde

letrozol
112809-51-5

letrozol

Conditions
ConditionsYield
Stage #1: 4-(bromomethyl)benzaldehyde; 4-chlorobenzaldehyde With ammonium hydroxide; copper diacetate In dimethyl sulfoxide at 70℃; for 12h;
Stage #2: 1,2,4-Triazole With potassium carbonate; potassium iodide In dimethyl sulfoxide; acetone at 50℃; for 10h; Inert atmosphere;
43%
1,2,4-Triazole
288-88-0

1,2,4-Triazole

4-(bromomethyl)benzaldehyde
51359-78-5

4-(bromomethyl)benzaldehyde

4-bromo-benzaldehyde
1122-91-4

4-bromo-benzaldehyde

letrozol
112809-51-5

letrozol

Conditions
ConditionsYield
Stage #1: 4-(bromomethyl)benzaldehyde; 4-bromo-benzaldehyde With ammonium hydroxide; copper diacetate In dimethyl sulfoxide at 70℃; for 10h;
Stage #2: 1,2,4-Triazole With potassium carbonate; potassium iodide In dimethyl sulfoxide; acetone at 50℃; for 10h; Inert atmosphere;
35%
1,2,4-Triazole
288-88-0

1,2,4-Triazole

4-chloromethylbenzaldehyde
73291-09-5

4-chloromethylbenzaldehyde

4-chlorobenzaldehyde
104-88-1

4-chlorobenzaldehyde

letrozol
112809-51-5

letrozol

Conditions
ConditionsYield
Stage #1: 4-chloromethylbenzaldehyde; 4-chlorobenzaldehyde With ammonium hydroxide; copper diacetate In dimethyl sulfoxide at 70℃; for 10h;
Stage #2: 1,2,4-Triazole With potassium carbonate; potassium iodide In dimethyl sulfoxide; acetone at 50℃; for 10h; Inert atmosphere;
34%
1,2,4-Triazole
288-88-0

1,2,4-Triazole

4-chloromethylbenzaldehyde
73291-09-5

4-chloromethylbenzaldehyde

4-bromo-benzaldehyde
1122-91-4

4-bromo-benzaldehyde

letrozol
112809-51-5

letrozol

Conditions
ConditionsYield
Stage #1: 4-chloromethylbenzaldehyde; 4-bromo-benzaldehyde With ammonium hydroxide; copper diacetate In dimethyl sulfoxide at 70℃; for 10h;
Stage #2: 1,2,4-Triazole With potassium carbonate; potassium iodide In dimethyl sulfoxide; acetone at 50℃; for 10h; Inert atmosphere;
33%
1,2,4-Triazole
288-88-0

1,2,4-Triazole

4-iodomethylbenzaldehyde
112812-08-5

4-iodomethylbenzaldehyde

4-bromo-benzaldehyde
1122-91-4

4-bromo-benzaldehyde

letrozol
112809-51-5

letrozol

Conditions
ConditionsYield
Stage #1: 4-iodomethylbenzaldehyde; 4-bromo-benzaldehyde With ammonium hydroxide; copper diacetate In dimethyl sulfoxide at 70℃; for 10h;
Stage #2: 1,2,4-Triazole With potassium carbonate; potassium iodide In dimethyl sulfoxide; acetone at 50℃; for 10h; Inert atmosphere;
32%
1,2,4-Triazole
288-88-0

1,2,4-Triazole

4-(bromomethyl)benzaldehyde
51359-78-5

4-(bromomethyl)benzaldehyde

4-fluorobenzaldehyde
459-57-4

4-fluorobenzaldehyde

letrozol
112809-51-5

letrozol

Conditions
ConditionsYield
Stage #1: 4-(bromomethyl)benzaldehyde; 4-fluorobenzaldehyde With ammonium hydroxide; copper diacetate In dimethyl sulfoxide at 70℃; for 12h;
Stage #2: 1,2,4-Triazole With potassium carbonate; potassium iodide In dimethyl sulfoxide; acetone at 50℃; for 10h; Inert atmosphere;
32%
1,2,4-Triazole
288-88-0

1,2,4-Triazole

4-iodomethylbenzaldehyde
112812-08-5

4-iodomethylbenzaldehyde

4-chlorobenzaldehyde
104-88-1

4-chlorobenzaldehyde

letrozol
112809-51-5

letrozol

Conditions
ConditionsYield
Stage #1: 4-iodomethylbenzaldehyde; 4-chlorobenzaldehyde With ammonium hydroxide; copper diacetate In dimethyl sulfoxide at 70℃; for 10h;
Stage #2: 1,2,4-Triazole With potassium carbonate; potassium iodide In dimethyl sulfoxide; acetone at 50℃; for 10h; Inert atmosphere;
21%
1,2,4-Triazole
288-88-0

1,2,4-Triazole

4,4'-dicyanodiphenylbromomethane
69545-39-7

4,4'-dicyanodiphenylbromomethane

letrozol
112809-51-5

letrozol

Conditions
ConditionsYield
With tetrabutylammomium bromide; potassium carbonate In isopropyl alcohol for 8 - 9h; Product distribution / selectivity; Heating / reflux;
With potassium carbonate In isopropyl alcohol for 8 - 9h; Product distribution / selectivity; Heating / reflux;
4-[1-(1,2,4-triazolyl)methyl]-benzonitrile

4-[1-(1,2,4-triazolyl)methyl]-benzonitrile

4-fluorobenzonitrile
1194-02-1

4-fluorobenzonitrile

letrozol
112809-51-5

letrozol

Conditions
ConditionsYield
With potassium tert-butylate In N-methyl-acetamide
4-fluorobenzonitrile
1194-02-1

4-fluorobenzonitrile

4-((1H-1,2,4-triazole-1-yl)methyl)benzonitrile
112809-25-3

4-((1H-1,2,4-triazole-1-yl)methyl)benzonitrile

letrozol
112809-51-5

letrozol

Conditions
ConditionsYield
With potassium tert-butylate In tetrahydrofuran at -15℃; for 7 - 8h; Product distribution / selectivity;
With lithium hexamethyldisilazane In tetrahydrofuran at -20 - -5℃; for 2h; Product distribution / selectivity;
Stage #1: 4-((1H-1,2,4-triazole-1-yl)methyl)benzonitrile With potassium tert-butylate In N,N-dimethyl-formamide at 0 - 5℃; for 1.5h;
Stage #2: 4-fluorobenzonitrile In N,N-dimethyl-formamide at 0 - 5℃; for 1.5h;
4-[(1-(1,3,4-triazolyl)-methyl)]benzonitrile
112809-27-5

4-[(1-(1,3,4-triazolyl)-methyl)]benzonitrile

4-fluorobenzonitrile
1194-02-1

4-fluorobenzonitrile

4-((1H-1,2,4-triazole-1-yl)methyl)benzonitrile
112809-25-3

4-((1H-1,2,4-triazole-1-yl)methyl)benzonitrile

A

4-[α-(4-cyano-phenyl)-1-(1,3,4-triazol-1-yl)-methyl]-benzonitrile
112809-52-6

4-[α-(4-cyano-phenyl)-1-(1,3,4-triazol-1-yl)-methyl]-benzonitrile

B

letrozol
112809-51-5

letrozol

Conditions
ConditionsYield
With potassium tert-butylate In tetrahydrofuran at -15℃; for 3h; Product distribution / selectivity;
α-(1H-[1,2,4]triazol-1-yl)-4,4'-diformaldoxime-diphenylmethane

α-(1H-[1,2,4]triazol-1-yl)-4,4'-diformaldoxime-diphenylmethane

letrozol
112809-51-5

letrozol

Conditions
ConditionsYield
With acetic anhydride for 8 - 10h; Product distribution / selectivity; Heating / reflux;
With sodium acetate; acetic anhydride; acetic acid at 20℃; for 3 - 4h; Product distribution / selectivity; Heating / reflux;
cobalt(II) chloride hexahydrate

cobalt(II) chloride hexahydrate

letrozol
112809-51-5

letrozol

CoCl2(1-[bis(4-cyanophenyl)methyl]-1,2,4-triazole)*H2O

CoCl2(1-[bis(4-cyanophenyl)methyl]-1,2,4-triazole)*H2O

Conditions
ConditionsYield
In ethanol; water High Pressure; mixt. of letrozole, CoCl2, EtOH and H2O sealed in stainless steel reactor, heated to 120°C for 24 h, slowly cooled to room temp.; elem. anal.;97.8%
In ethanol; water CoCl2 and letrozole dissolved in EtOH/H2O; mixt. stirred at room temp. for 1 h; filtered, soln. kept at room temp. for 4 d; elem. anal.;33.5%
letrozol
112809-51-5

letrozol

4,4′-(1H-1,2,4-triazol-1-yl)methylene-bis(benzoic acid)

4,4′-(1H-1,2,4-triazol-1-yl)methylene-bis(benzoic acid)

Conditions
ConditionsYield
Stage #1: letrozol With sodium hydroxide In water for 6h; Reflux;
Stage #2: With hydrogenchloride In water
94.9%
Stage #1: letrozol With potassium hydroxide In ethanol; water for 36h; Reflux;
Stage #2: With hydrogenchloride In water pH=2;
86.1%
Stage #1: letrozol With sodium hydroxide In N,N-dimethyl-formamide at 120℃; for 12h;
Stage #2: With hydrogenchloride In water; N,N-dimethyl-formamide pH=1;
77%
With [Rh(6,7-dihydrotribenzo-[e,i,m][1,4,7,12]-ioxadiazacyclotetradecine)]Cl; water; sodium hydroxide at 70℃; for 0.25h; Reagent/catalyst; Time;97.43 %Spectr.
Alkaline conditions;
nickel(II) chloride hexahydrate

nickel(II) chloride hexahydrate

letrozol
112809-51-5

letrozol

NiCl2(1-[bis(4-cyanophenyl)methyl]-1,2,4-triazole)*H2O

NiCl2(1-[bis(4-cyanophenyl)methyl]-1,2,4-triazole)*H2O

Conditions
ConditionsYield
In ethanol; water High Pressure; mixt. of letrozole, NiCl2, EtOH and H2O sealed in stainless steel reactor, heated to 120°C for 24 h, slowly cooled to room temp.; elem. anal.;94.8%
In ethanol; water NiCl2 and letrozole dissolved in EtOH/H2O; mixt. stirred at room temp. for 1 h; filtered, soln. kept at room temp. for 4 d; elem. anal.;45.3%
trans-Cl2Pd(H2NCH2C6H5)2
19046-92-5, 55176-74-4

trans-Cl2Pd(H2NCH2C6H5)2

silver nitrate

silver nitrate

letrozol
112809-51-5

letrozol

[Pd(PhCH2NH2)2(4,4'-((1H-1,2,4-triazol-1-yl)methylene)dibenzonitrile)2](NO3)2

[Pd(PhCH2NH2)2(4,4'-((1H-1,2,4-triazol-1-yl)methylene)dibenzonitrile)2](NO3)2

Conditions
ConditionsYield
Stage #1: trans-Cl2Pd(H2NCH2C6H5)2; silver nitrate In acetone at 25℃; for 2h; Darkness;
Stage #2: letrozol In acetone
78.5%
dichloro(benzene)ruthenium(II) dimer
37366-09-9

dichloro(benzene)ruthenium(II) dimer

ammonium tetrafluoroborate

ammonium tetrafluoroborate

letrozol
112809-51-5

letrozol

C40H28ClN10Ru(1+)*BF4(1-)

C40H28ClN10Ru(1+)*BF4(1-)

Conditions
ConditionsYield
In ethanol for 1h; Reflux;73%
letrozol
112809-51-5

letrozol

C17H15N5S2

C17H15N5S2

Conditions
ConditionsYield
With 2,3,4,5,7,8,9,10-octahydropyrimido[1,2-a]azepin-1-ium acetate; sodiumsulfide nonahydrate In neat (no solvent) at 20℃; for 2h; Green chemistry;73%
ethanol
64-17-5

ethanol

letrozol
112809-51-5

letrozol

diethyl 4,4′-(1H-1,2,4-triazol-1-ylmethanediyl)dibenzenecarboximidate

diethyl 4,4′-(1H-1,2,4-triazol-1-ylmethanediyl)dibenzenecarboximidate

Conditions
ConditionsYield
With acetyl chloride at 20℃; Cooling with ice;72%
Sodium trans-Bis(dimethhyl sulfoxide) tetrachlororuthenate(III)
131759-88-1, 61779-28-0

Sodium trans-Bis(dimethhyl sulfoxide) tetrachlororuthenate(III)

letrozol
112809-51-5

letrozol

Na[trans-RuCl4(letrozole)(dimethyl sulfoxide)]

Na[trans-RuCl4(letrozole)(dimethyl sulfoxide)]

Conditions
ConditionsYield
In acetone Inert atmosphere; Schlenk technique;66%
letrozol
112809-51-5

letrozol

C17H13N5S

C17H13N5S

Conditions
ConditionsYield
With 2,3,4,5,7,8,9,10-octahydropyrimido[1,2-a]azepin-1-ium acetate; sodiumsulfide nonahydrate In neat (no solvent) at 20℃; for 2h; Green chemistry;64%
letrozol
112809-51-5

letrozol

4,4'-dicyanodiphenylmethane
10466-37-2

4,4'-dicyanodiphenylmethane

Conditions
ConditionsYield
With tetraethylammonium perchlorate; triethylamine In dimethyl sulfoxide at 20℃; for 6h; Electrolysis; Green chemistry;55%
copper(II) choride dihydrate

copper(II) choride dihydrate

letrozol
112809-51-5

letrozol

[Cu(1-[bis(4-cyano-phenyl)methyl]-1,2,4-triazole)3Cl2]

[Cu(1-[bis(4-cyano-phenyl)methyl]-1,2,4-triazole)3Cl2]

Conditions
ConditionsYield
In ethanol; water at 120℃; for 72h;47%
tetrakis(acetonitrile)copper(I)tetrafluoroborate

tetrakis(acetonitrile)copper(I)tetrafluoroborate

chloroform
67-66-3

chloroform

letrozol
112809-51-5

letrozol

Cu(I)(1-[bis(4-cyanophenyl)methyl]-1,2,4-triazole)BF4*CHCl3
364594-74-1

Cu(I)(1-[bis(4-cyanophenyl)methyl]-1,2,4-triazole)BF4*CHCl3

Conditions
ConditionsYield
In chloroform; benzene solvothermal treatment of Cu-complex with ligand in benzene and CHCl3 for 3 ds at 100°C; elem. anal.;40%
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