Anastrozole Diamide

Base Information

• Chemical Name: Anastrozole Diamide
• CAS No.: 120512-04-1
• Molecular Formula: C17H23N5O2
• Molecular Weight: 329.402
• DSSTox Substance ID: DTXSID701137025
• Mol file: 120512-04-1.mol

Synonyms:120512-04-1;Anastrozole Diamide;2-[3-(1-amino-2-methyl-1-oxopropan-2-yl)-5-(1,2,4-triazol-1-ylmethyl)phenyl]-2-methylpropanamide;Anastrozole Impurity (alfa1 , alfa1, alfa3, alfa3-Tetramethyl-5-(1H-1,2,4-triazol-1-ylmethyl)-1,3-Benzenediacetamide);Anastrozole Impurity (alfa1, alfa1, alfa3, alfa3-Tetramethyl-5-(1H-1,2,4-triazol-1-ylmethyl)-1,3-Benzenediacetamide);SCHEMBL1319552;DTXSID701137025;2,2'-(5-((1H-1,2,4-Triazol-1-yl)methyl)-1,3-phenylene)bis(2-methylpropanamide);2,2'-[5-(1H-1,2,4-Triazol-1-yl)methylbenzene-1,3-diyl]bis(2-methylpropanamide);1,3-Benzenediacetamide, ?1,?1,?3,?3-tetramethyl-5-(1H-1,2,4-triazol-1-ylmethyl)-;1,3-Benzenediacetamide, ?,?,?',?'-tetramethyl-5-(1H-1,2,4-triazol-1-ylmethyl)- (9CI);2-[3-(2-Amino-1,1-dimethyl-2-oxo-ethyl)-5-(1,2,4-triazol-1-ylmethyl)phenyl]-2-methylpropanamide;I+/-1,I+/-1,I+/-3,I+/-3-Tetramethyl-5-(1H-1,2,4-triazol-1-ylmethyl)-1,3-benzenediacetamide

Chemical Property of Anastrozole Diamide

Chemical Property:

• PSA: 116.89000
• LogP: 2.25280
• Storage Temp.: Amber Vial, Refrigerator, Under inert atmosphere
• Solubility.: Chloroform (Slightly), DMSO, Methanol (Slightly)
• XLogP3: 0.4
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 6
• Exact Mass: 329.18517499
• Heavy Atom Count: 24
• Complexity: 457

Purity/Quality:

> 95% ^*data from raw suppliers

AnastrozoleDiamide ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)(C1=CC(=CC(=C1)CN2C=NC=N2)C(C)(C)C(=O)N)C(=O)N
• Uses: Anastrozole Diamide is a derivative of Anastrozole (A637425), an aromatase inhibitor. Used as an antineoplastic. Anastrozole Diamide Impurity

Technology Process of Anastrozole Diamide

There total 2 articles about Anastrozole Diamide 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: 0.36%

4-amino-1-[3,5-bis(1-cyano-1-methylethyl)benzyl]-4H-1,2,4-triazolium bromide → 2-[3-(1-cyano-1-methylethyl)-5-(1H-1,2,4-triazol-1-ylmethyl)phenyl]-2-methylpropionamide + 2-[3-(1-carbamoyl-1-methylethyl)-5-[1,2,4]triazol-1-ylmethylphenyl]-isobutyramide (120512-04-1) + anastrozol (120511-73-1)

Guidance literature:

4-amino-1-[3,5-bis(1-cyano-1-methylethyl)benzyl]-4H-1,2,4-triazolium bromide; With hydrogenchloride; sodium nitrite; In water; at -5 - 20 ℃;

With ammonia; water; at 0 - 25 ℃; for 4h;

Reference yield:

→ 2-[3-(1-cyano-1-methylethyl)-5-(1H-1,2,4-triazol-1-ylmethyl)phenyl]-2-methylpropionamide + 2-[3-(1-carbamoyl-1-methylethyl)-5-[1,2,4]triazol-1-ylmethylphenyl]-isobutyramide (120512-04-1)

Guidance literature: