1-Benzyl-1,2-dihydro-3H-indazol-3-one, sodium salt

Base Information

• Chemical Name: 1-Benzyl-1,2-dihydro-3H-indazol-3-one, sodium salt
• CAS No.: 13185-09-6
• Molecular Formula: C14H12 N2 O . Na
• Molecular Weight: 246.244
• Hs Code.: 2933990090
• European Community (EC) Number: 236-138-5
• Mol file: 13185-09-6.mol

Synonyms:1-Benzyl-1,2-dihydro-3H-indazol-3-one, sodium salt;EINECS 236-138-5;EC 236-138-5;sodium;1-benzyl-2H-indazol-3-one;NS00078129

Chemical Property of 1-Benzyl-1,2-dihydro-3H-indazol-3-one, sodium salt

Chemical Property:

• Melting Point: >220?C (dec.)
• PSA: 40.88000
• LogP: 3.22840
• Storage Temp.: Refrigerator
• Solubility.: DMSO (Slightly), Methanol (Slightly)
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 247.08473229
• Heavy Atom Count: 18
• Complexity: 286

Purity/Quality:

99.9% ^*data from raw suppliers

Sodium1-benzyl-1H-indazol-3-olate ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C=C1)CN2C3=CC=CC=C3C(=O)N2.[Na+]
• Uses: Intermediate in the production of Benzydamine Hydrochloride

Technology Process of 1-Benzyl-1,2-dihydro-3H-indazol-3-one, sodium salt

There total 2 articles about 1-Benzyl-1,2-dihydro-3H-indazol-3-one, sodium salt 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:

1-benzyl-3-hydroxy-1H-indazole (2215-63-6) → 1-benzyl-3-indazolol sodium salt (13185-09-6)

Guidance literature:

With sodium hydroxide; In water; at 80 - 85 ℃;

Reference yield:

anthranilic acid (118-92-3,159201-01-1,50816-84-7,80206-34-4,104809-47-4) → 1-benzyl-3-indazolol sodium salt (13185-09-6)

Guidance literature:

Multi-step reaction with 3 steps

1.1: hydrogenchloride; sodium nitrite / water / 0.5 h / 0 - 5 °C

1.2: 37.5 h / -8 - 80 °C

2.1: sodium hydroxide / water / 7 h / 40 - 70 °C

3.1: sodium hydroxide / water / 80 - 85 °C

With hydrogenchloride; sodium hydroxide; sodium nitrite; In water;

Reference yield: 73.6%

chlorobase + pyrographite (7440-44-0) + 1-benzyl-3-indazolol sodium salt (13185-09-6) + 3-(Dimethylamino)propyl chloride (109-54-6) → benzydamine hydrochloride (132-69-4)

Guidance literature:

In 5,5-dimethyl-1,3-cyclohexadiene; hexane; water;

upstream raw materials:

anthranilic acid

1-benzyl-3-hydroxy-1H-indazole

Downstream raw materials:

1,2-dibenzylindazolin-3-one

2,3-dihydro-2-phenyl-3-(phenylmethyl)-4(1H)-quinazolinone

2-amino-N-benzylbenzamide

2-(benzylamino)benzamide

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