3-(Hydroxymethyl)-1,2,3-benzotriazin-4(3H)-one

Base Information

• Chemical Name: 3-(Hydroxymethyl)-1,2,3-benzotriazin-4(3H)-one
• CAS No.: 24310-40-5
• Molecular Formula: C8H7 N3 O2
• Molecular Weight: 177.162
• Hs Code.: 2933699090
• European Community (EC) Number: 246-151-8
• DSSTox Substance ID: DTXSID8041458
• Nikkaji Number: J102.598H
• Wikidata: Q81984170
• Mol file: 24310-40-5.mol

Synonyms:24310-40-5;3-(Hydroxymethyl)-1,2,3-benzotriazin-4(3H)-one;3-Hydroxymethyl-3H-benzo[d][1,2,3]triazin-4-one;3-Hydroxymethyl-1,2,3-benzotriazine-4-one;3-(hydroxymethyl)benzo[d][1,2,3]triazin-4(3H)-one;3-(hydroxymethyl)-1,2,3-benzotriazin-4-one;3-(hydroxymethyl)-3,4-dihydro-1,2,3-benzotriazin-4-one;EINECS 246-151-8;1,2,3-Benzotriazin-4(3H)-one, 3-(hydroxymethyl)-;ChemDiv2_004236;3-(hydroxymethyl)-4-ketobenz-1,2,3-triazine;DTXSID8041458;SCHEMBL11349671;HMS1381A12;AKOS000121992;IDI1_002951;CS-0087966;EN300-02989;W-109185;3-(Hydroxymethyl)-1,2,3-benzotriazin-4(3H)-one #;F0918-4359;Z119989056

Chemical Property of 3-(Hydroxymethyl)-1,2,3-benzotriazin-4(3H)-one

Chemical Property:

• Vapor Pressure: 2.3E-05mmHg at 25°C
• Boiling Point: 345.6°C at 760 mmHg
• PKA: 13.17±0.10(Predicted)
• Flash Point: 162.8°C
• PSA: 68.01000
• Density: 1.48g/cm³
• LogP: -0.25870
• XLogP3: 0.8
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 1
• Exact Mass: 177.053826475
• Heavy Atom Count: 13
• Complexity: 242

Purity/Quality:

98%Min ^*data from raw suppliers

3-HYDROXYMETHYL-3H-BENZO[D][1,2,3]TRIAZIN-4-ONE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C2C(=C1)C(=O)N(N=N2)CO

Technology Process of 3-(Hydroxymethyl)-1,2,3-benzotriazin-4(3H)-one

There total 2 articles about 3-(Hydroxymethyl)-1,2,3-benzotriazin-4(3H)-one 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: 76.7%

formaldehyd (50-00-0,30525-89-4,61233-19-0) + 1,2,3-benzotriazin-4(3H)-one (90-16-4) → 3-(hydroxymethyl)benzotriazin-4(3H)-one (24310-40-5)

Guidance literature:

In 1,4-dioxane; for 5h; Reflux;

DOI:10.1007/s11696-018-0422-x

Reference yield:

anthranilic acid amide (28144-70-9,88-68-6) → 3-(hydroxymethyl)benzotriazin-4(3H)-one (24310-40-5)

Guidance literature:

Multi-step reaction with 2 steps

1: hydrogenchloride; sodium nitrite / water / 1 h / Cooling with ice

2: 1,4-dioxane / 5 h / Reflux

With hydrogenchloride; sodium nitrite; In 1,4-dioxane; water;

DOI:10.1007/s11696-018-0422-x

Reference yield: 81.8%

3-(hydroxymethyl)benzotriazin-4(3H)-one (24310-40-5) → 3-chloromethyl-1,2,3-benzotriazin-4(3H)-one (24310-41-6)

Guidance literature:

With thionyl chloride; In 1,4-dioxane; for 2h; Reflux;

DOI:10.1007/s11696-018-0422-x

upstream raw materials:

formaldehyd

1,2,3-benzotriazin-4(3H)-one

anthranilic acid amide

Downstream raw materials:

3-chloromethyl-1,2,3-benzotriazin-4(3H)-one

azinphos methyl oxon

Azinphos-methyl

azinphos-ethyl